Month: January 2023

Novel thioether Schiff base transition metal complexes: Design, synthesis, characterization, molecular docking, computational, biological and catalytic studies was written by Singh, Anmol;Gogoi, Himadri Priya;Barman, Pranjit;Guha, Ankur Kanti. And the article was included in Applied Organometallic Chemistry in 2022.Quality Control of (4-Methoxyphenyl)methanol This article mentions the following:

A series of novel copper(II), nickel(II), zinc(II) and cobalt(II) Schiff base metal complexes were synthesized by the reaction of 2-(benzylthio)aniline with pyrrole-2-carboxaldehyde and characterized by FT-IR, UV-visible, elemental analyses, ¹H-NMR, magnetic susceptibility and ESI-MS. The Schiff base ligand posed as an NS-bidentate ligand, confirming the synthesis of metal complexes with the suggested structure, according to the spectrum anal. data. All the complexes acquire square planar geometry. Furthermore, the DFT method was utilized to conduct computational analyses of metal complexes. The spectroscopic (UV-Vis and fluorescence) techniques were employed to probe the binding nature of calf thymus-DNA binding to metal complexes. The metal complexes interact with DNA through intercalative mode, according to the spectroscopic titration data. The antioxidant properties of metal complexes were evaluated using their reducing ability and free radical scavenging activity of DPPH. The antioxidant property is high in isolated complexes. The in vitro anti-inflammatory efficacy of all complexes has also been studied. All the metal complexes exhibited effective anti-inflammatory activity and can be used as synthetic drugs. The synthesized copper(II) complex exhibits excellent catalytic activities for the transformation reaction of alc. to aldehyde in the presence of hydrogen peroxide. The interaction of metal complexes with active sites of the B-DNA (1-BNA) and 6-COX (COX 2) was studied using docking studies. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Quality Control of (4-Methoxyphenyl)methanol).

(4-Methoxyphenyl)methanol (cas: 105-13-5) 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. Ethyl ether is an excellent solvent for extractions and for a wide variety of chemical reactions. It is also used as a volatile starting fluid for diesel engines and gasoline engines in cold weather. Dimethyl ether is used as a spray propellant and refrigerant. Methyl t-butyl ether (MTBE) is a gasoline additive that boosts the octane number and reduces the amount of nitrogen-oxide pollutants in the exhaust. The ethers of ethylene glycol are used as solvents and plasticizers.Quality Control of (4-Methoxyphenyl)methanol

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

Diversity-Oriented Synthesis of Fluoromethylated Arenes via Palladium-Catalyzed C-H Fluoromethylation of Aryl Iodides was written by Du, Yiming;Chen, Shuxin;Huang, Ao;Chen, Yihan;Liu, Yun-Lin;Song, Gaopeng;Tang, Ri-Yuan;Xu, Hanhong;Yao, Guangkai;Li, Zhaodong. And the article was included in Organic Letters in 2022.Formula: C14H21BO4 This article mentions the following:

Herein the first versatile and expeditious method for the site-selective C-H fluoromethylation of aryl iodides ArI (Ar = 2-methylphenyl, 6-chloro-2-methylpyridin-3-yl, 2H-1,3-benzodioxol-5-yl, etc.) via Pd/NBE cooperative catalysis, which could work as a robust toolbox for the diversity-oriented synthesis (DOS) of fluoromethylated arenes, e.g., tert-Bu (E)-3-(2,4-bis(fluoromethyl)-6-methoxypyridin-3-yl)acrylate has been reported. This methodol. features the use of low-cost industrial raw material CH₂IF as fluoromethyl source, excellent functional group tolerance and broad ipso terminations scope, and could be expanded to the late-stage modification of biorelevant mols. In the experiment, the researchers used many compounds, for example, 2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 365564-07-4Formula: C14H21BO4).

2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 365564-07-4) 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. 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.Formula: C14H21BO4

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

Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes was written by Kita, Matthew R.;Miller, Alexander J. M.. And the article was included in Journal of the American Chemical Society in 2014.Synthetic Route of C10H21NO4 This article mentions the following:

Complexes of a new multidentate ligand combining a rigid, strongly donating pincer scaffold with a flexible, weakly donating aza-crown ether moiety are reported. The pincer-crown ether ligand exhibits tridentate, tetradentate, and pentadentate coordination modes. The coordination mode can be changed by Lewis base displacement of the chelating ethers, with binding equilibrium dramatically altered through lithium and sodium cation-macrocycle interactions. Cation-promoted hydrogen activation was accomplished by an iridium monohydride cation ligated in a pentadentate fashion by the pincer-crown ether ligand. The rate can be controlled on the basis of the choice of cation (with lithium-containing reactions proceeding about 10 times faster than sodium-containing reactions) or on the basis of the concentration of the cation. Up to 250-fold rate enhancements in H/D exchange rates are observed when catalytic amounts of Li⁺ are added. In the experiment, the researchers used many compounds, for example, 1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3Synthetic Route of C10H21NO4).

1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3) 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. 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.Synthetic Route of C10H21NO4

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

Carbon-13 NMR studies on reaction mechanisms. IV. Solvolysis of 4-aryl-n-butyl brosylates was written by Fujio, Mizue;Taguchi, Miyako;Wada, Yoshiko;Seki, Yoji;Mishima, Masaaki;Tsuno, Yuho. And the article was included in Memoirs of the Faculty of Science, Kyushu University, Series C: Chemistry in 1980.Recommanded Product: 3-(2,4-Dimethoxyphenyl)acrylic acid This article mentions the following:

The solvolysis of methoxy-substituted 4-phenylbutyl-1–¹³C (90% enriched) brosylate gave both open-chain ester products and isomeric products (e.g., 6- or 7-methoxytetralin-1–¹³C) via anchimerically-assisted pathways. The ¹³C NMR tracer technique was applied to the solvolysis mechanism and kinetics. Suitably positioned MeO groups accelerated the anchimerically assisted route. Transition states for the assisted pathways were discussed. In the experiment, the researchers used many compounds, for example, 3-(2,4-Dimethoxyphenyl)acrylic acid (cas: 6972-61-8Recommanded Product: 3-(2,4-Dimethoxyphenyl)acrylic acid).

3-(2,4-Dimethoxyphenyl)acrylic acid (cas: 6972-61-8) 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. 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).Recommanded Product: 3-(2,4-Dimethoxyphenyl)acrylic acid

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

Structure-activity relationships of a novel series of melanin-concentrating hormone (MCH) receptor antagonists was written by Arienzo, Rosa;Clark, David E.;Cramp, Sue;Daly, Stephen;Dyke, Hazel J.;Lockey, Peter;Norman, Dennis;Roach, Alan G.;Stuttle, Keith;Tomlinson, Maxine;Wong, Melanie;Wren, Stephen P.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2004.Computed Properties of C9H10O4 This article mentions the following:

A new series of 2-aminoquinolines, e.g. I [R¹R²N = N-methylpiperazino, morpholino, piperidino, etc.; R¹ = Me₂CH, cyclopentyl, R² = H; R¹ = Me, PhCH₂, R² = Me; R³ = Ph, 4-ClC₆H₄, 4-F₃CC₆H₄, 2,4-Cl₂C₆H₃, etc.] has been identified as antagonists of the melanin concentrating hormone receptor (MCH-1R). Syntheses and structure-activity relationships are described leading to a compound having low nanomolar activity against the receptor and demonstrating functional antagonism. Studies also showed that some of the compounds were selective against a range of other G protein-coupled receptors. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4Computed Properties of C9H10O4).

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. 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.Computed Properties of C9H10O4

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

Pyrene-containing dyes: Reversible click/declick reaction, optical and aggregation behaviors was written by Peng, Mengde;Wang, Ying;Zhang, Xin. And the article was included in Dyes and Pigments in 2020.Formula: C5H12O3 This article mentions the following:

Pyrene-based dyes were synthesized by a clean, efficient Diels-Alder [4 + 2] click reaction where no catalyst adding or side reactions occurring. The optical behaviors, optoelectronic properties and supramol. donor/acceptor dipolar interactions of these new dyes were investigated by UV-vis absorption, fluorescence spectroscopy, electrostatic potential and frontier MO calculations as well as electrochem. cyclic voltammetry measurements. Two pyrene-based dyes can be mutually transformed by reversible formation or cleavage of Diels-Alder covalent bonds through click/declick reaction. During the reversible reaction, switchable fluorescence on/off behaviors were interestingly observed X-ray single crystal diffraction revealed that supramol. donor/acceptor dipolar and π-π stacking interactions work cooperatively to form stronger interaction and the shorter distance (3.38 Å) between donor and acceptor than general π-π stacking distance (3.54 Å). An amphiphilic dye is self-assembled in water into blue fluorescent, hollow vesicular aggregates with the average diameter of 115-120 nm and a narrow size distribution as revealed by dynamic light scattering, SEM and transmission electron microscopy. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Formula: C5H12O3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. 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. 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.Formula: C5H12O3

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

Oxidation of benzyl alcohol using linear paired electrolysis was written by Horiguchi, Genki;Kamiya, Hidehiro;Chiba, Kazuhiro;Okada, Yohei. And the article was included in Journal of Environmental Chemical Engineering in 2022.Computed Properties of C8H10O2 This article mentions the following:

Electrochem. transformation offers a green and sustainable process in water treatment, energy conversion, and chem. synthesis. In particular, paired electrolysis systems, which produce valuable products by both anodic oxidation and cathodic reduction, can make the most efficient use of energy. Herein, we developed the oxidation of benzyl alcs. by paired electrolysis using O₂ as the terminal oxidant and an aqueous medium as the electrolyte. The key to this system is the cathodic oxidation path, and the highly oxidizing reactive oxygen species (ROS) produced by O₂ reduction at the cathode oxidizes benzyl alc. This path at the cathode is an indirect oxidation path. Thus, by using both direct oxidation at the anode and indirect oxidation at the cathode, the desired benzaldehyde can be produced with high productivity and efficiency. We obtained the corresponding benzaldehyde in yields as high as 94%, and the system achieved a current efficiency as high as 146%. Especially, the ability to exceed 100% current efficiency is one of the advantages of the paired electrolysis route, and the observed results support the proposed mechanism of linear paired electrolysis. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Computed Properties of C8H10O2).

(4-Methoxyphenyl)methanol (cas: 105-13-5) 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. 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).Computed Properties of C8H10O2

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

A convenient approach for antibacterial polypeptoids featuring sulfonium and oligo(ethylene glycol) subunits was written by Zhang, Bo;Li, Min;Lin, Min;Yang, Xuan;Sun, Jing. And the article was included in Biomaterials Science in 2020.Synthetic Route of C5H12O3 This article mentions the following:

Bioinspired polypeptoids show great potential in many applications. Here, we report a convenient approach to synthesize a novel type of polypeptoid containing both sulfonium and oligo(ethylene glycol) (OEG) moieties by ring-opening polymerization (ROP) and a post-modification strategy. Three types of epoxides with (OEG)n (n = 1-3) groups are involved to offer various functionalities. The obtained polypeptoid sulfonium salts show pos. ζ potential, irresp. of the solution pH and the d.p. (DP). We demonstrate that the polypeptoids exhibit excellent antibacterial activity against Staphylococcus aureus (S. aureus) with MIC (minimal inhibitory concentration) in the range of 3.9-7.8μg mL-1. In addition, the polypeptoids have a low hemolysis property and good in vitro biocompatibility. Remarkably, the as-prepared polypeptoids show rapid and potent antibacterial activity within 5 min. These features suggest that the obtained polypeptoids offer great potential for antimicrobial agents. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Synthetic Route of C5H12O3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. 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. 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.Synthetic Route of C5H12O3

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

Alkyldisulfanium Salts: Isolable, Electrophilic Sulfur Reagents Competent for Polyene Cyclizations was written by Schevenels, Florian T.;Shen, Minxing;Snyder, Scott A.. And the article was included in Organic Letters in 2017.Product Details of 3929-47-3 This article mentions the following:

Tools that can effect electrophilic sulfur-promoted cation-π cyclizations are generally lacking, especially using alkylsulfide-based reagents. Herein we report that combining three different 1,2-dithioethers with Cl₂ and SbCl₅ generates isolable alkyldisulfanium salts that can effect such reactions. These new reagents can install -SMe, -SEt, and -SCH₂CH₂CF₃ in modest, moderate, or good yield on diverse frameworks, including polyenes that terminate with electron-deficient groups. We also show that reagents such as dimethyl(methylthio)sulfonium tetrafluoroborate (DMTSF) can accomplish similar chem. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Product Details of 3929-47-3).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) 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. 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.Product Details of 3929-47-3

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

A minimal hybridization chain reaction (HCR) system using peptide nucleic acids was written by Kim, Ki Tae;Angerani, Simona;Winssinger, Nicolas. And the article was included in Chemical Science in 2021.Reference of 111-77-3 This article mentions the following:

The HCR represents a powerful tool for amplification in DNA-based circuitry and sensing applications, yet requires the use of long DNA sequences to grant hairpin metastability. Here we describe a minimal HCR system based on peptide nucleic acids (PNAs). A system comprising a 5-mer stem and 5-mer loop/toehold hairpins was found to be suitable to achieve rapid amplification. These hairpins were shown to yield > 10-fold amplification in 2 h and be suitable for the detection of a cancer biomarker on live cells. The use of γgamma-peg-modified PNA was found to be beneficial. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Reference of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) 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. 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.Reference of 111-77-3

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