Tag: 100-200

Synthesis of N-heteroarenemethyl esters via C-C bond cleavage of acyl cyanides under transition metal-free conditions was written by Lai, Miao;Su, Fangyao;Hu, Jingyi;Wang, Mengzhuo;Zhao, Mingqin;Zhang, Ganlin. And the article was included in Frontiers in Chemistry (Lausanne, Switzerland) in 2021.Safety of (6-Methoxypyridin-2-yl)methanol This article mentions the following:

A practical method to synthesize N-heteroaryl esters from N-heteroaryl methanols with acyl cyanides via C-C bond cleavage without using any transition metal is demonstrated here. The use of Na₂CO₃/15-crown-5 couple enables access to a series of N-heteroaryl esters in high efficiency. This protocol is operationally simple and highly environmentally benign producing only cyanides as byproducts. In the experiment, the researchers used many compounds, for example, (6-Methoxypyridin-2-yl)methanol (cas: 63071-12-5Safety of (6-Methoxypyridin-2-yl)methanol).

(6-Methoxypyridin-2-yl)methanol (cas: 63071-12-5) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Safety of (6-Methoxypyridin-2-yl)methanol

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

A Lewis acid-promoted cyclization of ethenetricarboxylate derivative aromatic compounds. Novel syntheses of oxindoles and benzofuranones via Friedel-Crafts intramolecular Michael addition was written by Yamazaki, Shoko;Morikawa, Satoshi;Iwata, Yuko;Yamamoto, Machiko;Kuramoto, Kaori. And the article was included in Organic & Biomolecular Chemistry in 2004.Name: 3-(3,4-Dimethoxyphenyl)propan-1-ol This article mentions the following:

A cyclization reaction of ethenetricarboxylate derivative aromatic compounds, in the presence of various Lewis acids, gave benzo-annulated cyclic compounds such as oxindoles, e.g., I, and benzofuranones by Friedel-Crafts intramol. Michael addition in high yields. The reaction of di-Et 2-[(N-methyl-N-phenylcarbamoyl)methylene]malonate in the presence of ZnCl₂ gave I in excellent yield. The reactions also proceeded with a catalytic amount of a Lewis acid such as AlCl₃, ZnCl₂, ZnBr₂, Sc(OTf)₃, or InBr₃. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Name: 3-(3,4-Dimethoxyphenyl)propan-1-ol).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.Name: 3-(3,4-Dimethoxyphenyl)propan-1-ol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Gold(I)-catalyzed addition of carboxylic acids to internal alkynes in aqueous medium was written by Gonzalez-Liste, Pedro J.;Garcia-Garrido, Sergio E.;Cadierno, Victorio. And the article was included in Organic & Biomolecular Chemistry in 2017.HPLC of Formula: 16356-02-8 This article mentions the following:

The efficient hydro-oxycarbonylation of sym. and unsym. internal alkynes RCCR¹ (R = R¹ = CH₂CH₃; R = C₆H₅, R¹ = CH₃; R = CH₃, R¹ = C(O)₂CH₂CH₃, etc.) with carboxylic acids R²C(O)₂H [R² = C₆H₅, (CH₂)₅CH₃, cyclohexyl, etc.] in water at 60 °C, employs the catalytic system [AuCl(PPh₃)]/AgOAc (5 mol%) has been reported. This simple and eco-friendly protocol allows for the synthesis of a wide variety of trisubstituted enol esters (Z)-I and (Z)-II in high yields and with complete Z-stereoselectivity. The use of microwave irradiation as an alternative energy source has also been evaluated. In the experiment, the researchers used many compounds, for example, 1,4-Dimethoxy-2-butyne (cas: 16356-02-8HPLC of Formula: 16356-02-8).

1,4-Dimethoxy-2-butyne (cas: 16356-02-8) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.HPLC of Formula: 16356-02-8

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In silico and pharmacological screenings identify novel serine racemase inhibitors was written by Mori, Hisashi;Wada, Ryogo;Li, Jie;Ishimoto, Tetsuya;Mizuguchi, Mineyuki;Obita, Takayuki;Gouda, Hiroaki;Hirono, Shuichi;Toyooka, Naoki. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2014.Recommanded Product: 2-(4-Methoxyphenoxy)acetic acid This article mentions the following:

D-Serine is a coagonist of the N-methyl-D-aspartate (NMDA)-type glutamate receptor and its biosynthesis is catalyzed by serine racemase (SR). The overactivation of the NMDA receptor has been implicated in the development of neurodegenerative diseases, strokes, and epileptic seizures, thus, the inhibitors of SR have potential against these pathol. states. Here, we have developed novel inhibitors of SR by in silico screening and in vitro enzyme assay. The newly developed inhibitors have lower IC₅₀ value comparing with that of malonate, one of the standard SR inhibitor. The structural features of novel inhibitors suggest the importance of central amide structure having a phenoxy substituent in their structure for the SR inhibitory activity. The present findings suggest the importance and rational development of new drugs for diseases of NMDAR overactivation. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4Recommanded Product: 2-(4-Methoxyphenoxy)acetic acid).

2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.Recommanded Product: 2-(4-Methoxyphenoxy)acetic acid

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

An assessment of the toxicity of some pesticides and their metabolites affecting a natural aquatic environment using the Microtox system was written by Amoros, I.;Connon, R.;Garelick, H.;Alonso, J. L.;Carrasco, J. M.. And the article was included in Water Science and Technology in 2000.Synthetic Route of C8H9NO3 This article mentions the following:

The conservation and preservation of aquatic ecosystems is of utmost importance due to the high diversity and d. of species and their complex food network. The evaluation of the potential adverse environmental impact caused by pesticides entering water bodies is an important parameter in aquatic toxicity. The toxicity of the insecticide, fenitrothion and two of its metabolites, 3-methyl-4-nitrophenol and 3-methyl-4-nitroanisole, and of the herbicides thiobencarb and molinate, commonly used in rice fields in Valencia near the protected area of lake Albufera, was tested by the Microtox system. The 15 min EC₅₀ values obtained with the marine luminescent bacterium Vibrio fischeri showed that the thiobencarb was the most toxic of the 3 tested pesticides with an EC₅₀ value of 0.03 mg/L. The EC₅₀ values of the first 2 steps of the fenitrothion hydrolysis indicated that while the first metabolite, 3-methyl-4-nitrophenol, was as toxic as its parent compound, a decreased toxicity was observed for the second metabolite, 3-methyl-4-nitroanisole. To analyze the toxic effects of pesticides in complex mixtures the EC₅₀ values of fenitrothion, molinate, and thiobencarb as pure substances and their mixtures were compared. The impact of the pesticides in the natural ecosystem was also studied and a protective effect of lake water was observed In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8Synthetic Route of C8H9NO3).

3-Methyl-4-nitroanisole (cas: 5367-32-8) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Synthetic Route of C8H9NO3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Coenzyme Q₀ from Antrodia cinnamomea exhibits drug-resistant bacteria eradication and keratinocyte inflammation mitigation to ameliorate infected atopic dermatitis in mouse was written by Chou, Wei-Ling;Lee, Tzong-Huei;Huang, Tse-Hung;Wang, Pei-Wen;Chen, Ya-Ping;Chen, Chin-Chang;Chang, Zi-Yu;Fang, Jia-You;Yang, Shih-Chun. And the article was included in Frontiers in Pharmacology in 2019.Recommanded Product: 605-94-7 This article mentions the following:

Atopic dermatitis (AD) is an inflammatory skin disease that is usually accompanied by Staphylococcus aureus infection due to cutaneous barrier-function damage. Benzenoid compounds from Antrodia cinnamomea are known to exhibit antibacterial and antiinflammatory activities. This study sought to investigate the potential of benzenoids for treating bacteria-infected AD. The compounds were screened against methicillin-resistant S. aureus (MRSA). Coenzyme Q0 (CoQ0), a key ingredient in A. cinnamomea, showed the strongest MRSA growth inhibition. We further tested the inhibitory effect of CoQ0 on planktonic and biofilm MRSA. The work was also performed to explore the potential effectiveness of CoQ0 on AD using activated keratinocytes and in vivo exptl. AD mice as the models. The min. inhibitory concentration (MIC) and min. bactericidal concentration (MBC) of CoQ0 against MRSA were 7.81μg/mL. CoQ0 was found to eradicate biofilm MRSA efficiently and reduce the biofilm thickness. CoQ0 killed MRSA by inhibiting DNA polymerase and topoisomerases. A proteomic assay showed that CoQ0 also reduced the ribosomal proteins. In the anti-inflammation study, CoQ0 was found to downregulate the expression of interleukin (IL)-6, chemokine (C-C motif) ligand (CCL)5, and CCL17 in HaCaT cells. CoQ0 at 0.5μg/mL could recover the filaggrin decreased by HaCaT activation to the normal control. We established a bacteria-infected AD-like model in mice using ovalbumin (OVA) and topically applied MRSA. Topical CoQ0 delivery lessened the MRSA presence in the AD-like lesions by >90%. The erythema, barrier function, and epidermal thickness of the AD-like wounds were improved by CoQ0 through the reduction of IL-1β, IL-4, IL-6, IL-10, interferon (IFN)-γ, and by neutrophil infiltration in the lesional skin. CoQ0 is therefore regarded as effective in mitigating AD symptoms associated with bacterial load. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Recommanded Product: 605-94-7).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. Ethers can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Recommanded Product: 605-94-7

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Textile-based non-invasive lithium drug monitoring: A proof-of-concept study for wearable sensing was written by Sweilam, Mona N.;Cordery, Sarah F.;Totti, Stella;Velliou, Eirini G.;Campagnolo, Paola;Varcoe, John R.;Delgado-Charro, M. Begona;Crean, Carol. And the article was included in Biosensors & Bioelectronics in 2020.Product Details of 111-77-3 This article mentions the following:

Flexible wearable chem. sensors are emerging tools which target diagnosis and monitoring of medical conditions. One of the potential applications of wearable chem. sensors is therapeutic drug monitoring for drugs that have a narrow therapeutic range such as lithium. We have investigated the possibility of developing a fiber-based device for non-invasive lithium drug monitoring in interstitial fluid. A flexible cotton-based lithium sensor was coupled with a carbon fiber-based reference electrode to obtain a potentiometric device. In vitro reverse iontophoresis experiments were performed to extract Li⁺ from under porcine skin by applying a c.d. of 0.4 mA cm^-2 via two electrodes. Carbon fiber-based reverse iontophoresis electrodes were fabricated and used instead of a conventional silver wire-based version and comparable results were obtained. The fiber-based Li⁺ sensor and reference electrodes were capable of determining the Li⁺ concentration in samples collected via reverse iontophoresis and the results compared well to those obtained by ion chromatog. Addnl., biocompatibility of the materials used have been tested. Promising results were obtained which confirm the possibility of monitoring lithium in interstitial fluid using a wearable sensor. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Product Details of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides.Product Details of 111-77-3

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthesis, crystal structure and biological evaluation of some novel 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines was written by Khan, Imtiaz;Zaib, Sumera;Ibrar, Aliya;Rama, Nasim Hasan;Simpson, Jim;Iqbal, Jamshed. And the article was included in European Journal of Medicinal Chemistry in 2014.SDS of cas: 1877-75-4 This article mentions the following:

Nitrogen-containing heterocycles are of particular interest and significant importance for the discovery of potent bioactive agents in pharmaceutical industry. The present study reports the synthesis of a library of new conjugated heterocycles including I [R¹ = 4-FC₆H₄OCH₂, 2-furyl, 3-furyl, etc.] and II [R² = 3-ClC₆H₄, 4-biphenyl, 1-naphthyl, etc.] by cyclocondensation reaction of 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol with various substituted aromatic acids and phenacyl bromides, resp. The structures of newly synthesized compounds were characterized by elemental anal., IR, ¹H and ¹³C NMR spectroscopy and in case of I [R¹ = 2-furyl] by x-ray crystallog. anal. Newly synthesized triazolothiadiazoles and thiadiazines were screened for acetyl- and butyryl-cholinesterases and alk. phosphatase inhibition. Almost all of the compounds showed good to excellent activities against acetylcholinesterase more than the reference drugs. Compound I [R¹ = 4-MeOC₆H₄OCH₂] exhibited IC₅₀ value 0.77±0.08 μM against acetylcholinesterase and I [R¹ = 2-F-4-Cl-C₆H₃] showed IC₅₀ 9.57±1.42 μM against butyrylcholinesterase. Among all the tested compounds, I [R¹ = 2-F-4-Cl-C₆H₃] also proved as excellent inhibitor of alk. phosphatase with IC₅₀ 0.92±0.03 μM. These heteroaromatic hybrid structures were also tested for their anticancer activity against lung carcinoma (H157) and kidney fibroblast (BHK-21) cell lines and leishmanias. Variable cell growth inhibitory activities were obtained and many compounds exhibit potent %inhibition. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4SDS of cas: 1877-75-4).

2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.SDS of cas: 1877-75-4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Probing the Reactivity of the Active Material of a Li-Ion Silicon Anode with Common Battery Solvents was written by Han, Binghong;Zhang, Yunya;Liao, Chen;Trask, Stephen E.;Li, Xiang;Uppuluri, Ritesh;Vaughey, John T.;Key, Baris;Dogan, Fulya. And the article was included in ACS Applied Materials & Interfaces in 2021.HPLC of Formula: 112-49-2 This article mentions the following:

Calculations and modeling have shown that replacing the traditional graphite anode with silicon can greatly improve the energy d. of lithium-ion batteries. However, the large volume change of silicon particles and high reactivity of lithiated silicon when in contact with the electrolyte lead to rapid capacity fading during charging/discharging processes. In this report, we use specific lithium silicides (LS) as model compounds to systematically study the reaction between lithiated Si and different electrolyte solvents, which provides a powerful platform to deconvolute and evaluate the degradation of various organic solvents in contact with the active lithiated Si-electrode surface after lithiation. NMR (NMR) characterization results show that a cyclic carbonate such as ethylene carbonate is chem. less stable than a linear carbonate such as ethylmethyl carbonate, fluoroethylene carbonate, and triglyme as they are found to be more stable when mixed with LS model compounds Guided by the exptl. results, two ethylene carbonate (EC)-free electrolytes are studied, and the electrochem. results show improvements with graphite-free Si electrodes relative to the traditional ethylene-carbonate-based electrolytes. More importantly, the study contributes to our understanding of the significant fundamental chem. and electrochem. stability differences between silicon and traditional graphite lithium-ion battery (LIB) anodes and suggests a focused development of electrolytes with specific chem. stability vs lithiated silicon which can passivate the surface more effectively. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2HPLC of Formula: 112-49-2).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.HPLC of Formula: 112-49-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Ultrafast photodynamics and quantitative evaluation of biohybrid photosynthetic antenna and reaction center complexes generating photocurrent was written by Yoneda, Yusuke;Goto, Akari;Takeda, Nobutaka;Harada, Hiromi;Kondo, Masaharu;Miyasaka, Hiroshi;Nagasawa, Yutaka;Dewa, Takehisa. And the article was included in Journal of Physical Chemistry C in 2020.Computed Properties of C9H10O4 This article mentions the following:

A functional linkage between light-harvesting and photocatalytic components is a pivotal issue for using solar energy in chem. conversions; however, this concept is far from being practically realized. Here, we constructed a system that integrates an artificially extended photosynthetic light-harvesting complex 2 (LH2) and a light-harvesting 1-reaction center (RC) core complex (LH1-RC). A biohybrid LH2, whose light-harvesting ability was extended by a covalently attached hydrophobic fluorophore ATTO647N (LH2-ATTO) to cover the absorption gap of LH2, was assembled with LH1-RC in a lipid bilayer. Femtosecond transient absorption spectroscopy revealed that upon an excitation of the ATTO, sequential excitation energy transfer (EET), ATTO → LH2 → LH1 → RC, was followed by a subsequent electron transfer in the RC with rates comparable to those in a native system. As a proof of concept, the functional linkage between light-harvesting and photocatalytic reactions was quant. demonstrated through the enhancement in the charge separation yield and photocurrent generation activity of LH2-ATTO/LH1-RC assembled on an electrode. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Computed Properties of C9H10O4).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil. Ethers can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Computed Properties of C9H10O4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem