Month: February 2023

Statistical analysis of GC-MS screening data to evaluate organic contaminants in surface and drinking water was written by Houtman, Corine J.;Kroesbergen, Jan;Baggelaar, Paul K.;van Lieverloo, J. Hein M.. And the article was included in Science of the Total Environment in 2019.Application of 112-49-2 This article mentions the following:

Due to anthropogenic activities in the catchments, surface waters are contaminated with a large variety of chem. compounds Drinking water companies in the Netherlands use surface water from the rivers Rhine, and Meuse, Lake IJssel and water from a reclaimed land area as sources for the production of drinking water. Samples from the abstraction points and the produced drinking waters were investigated using chem. screening with gas chromatog. coupled to mass spectrometry to detect an as wide as possible range of organic contaminants, generating enormous data sets. This study aimed to evaluate and interpret five and a half years of screening data to get insight in the variety of known and new less polar compounds in surface and drinking waters, and to investigate if there were spatial patterns in the detection of compounds Compounds from a wide variety of applications were detected. The vast majority of detected compounds was found only in a few samples. Certain compounds, however, e.g. organophosphate flame retardants, were detected with prevalences up to 100% per location. Most compounds were detected in samples from the rivers Rhine and Meuse, less in those from Lake IJssel and the reclaimed land area and only few in drinking water. Principal component and Hierarchical Cluster Analyses helped to detect patterns in the presence of contaminants on particular locations and to prioritize compounds for further investigation of their emission sources, and -in case of unknown compounds – their identification. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Application of 112-49-2).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) 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. Ethers feature bent C閳ユ彊閳ユ弲 linkages. In dimethyl ether, the bond angle is 111鎺?and C閳ユ彊 distances are 141 pm. The barrier to rotation about the C閳ユ彊 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.Application of 112-49-2

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

Exploring the quinone/inhibitor-binding pocket in mitochondrial respiratory complex I by chemical biology approaches was written by Uno, Shinpei;Kimura, Hironori;Murai, Masatoshi;Miyoshi, Hideto. And the article was included in Journal of Biological Chemistry in 2019.COA of Formula: C9H10O4 This article mentions the following:

NADH-quinone oxidoreductase (respiratory complex I) couples NADH-to-quinone electron transfer to the translocation of protons across the membrane. Even though the architecture of the quinone-access channel in the enzyme has been modeled by X-ray crystallog. and cryo-EM, conflicting findings raise the question whether the models fully reflect physiol. relevant states present throughout the catalytic cycle. To gain further insights into the structural features of the binding pocket for quinone/inhibitor, we performed chem. biol. experiments using bovine heart sub-mitochondrial particles. We synthesized ubiquinones (UQs) that are oversized ,(i.e., SF-UQs) or lipid-like (i.e., PC-UQs) and are highly unlikely to enter and transit the predicted narrow channel. We found that SF-UQs and PC-UQs can be catalytically reduced by complex I, albeit only at moderate or low rates. Moreover, quinone-site inhibitors completely blocked the catalytic reduction and the membrane potential formation coupled to this reduction Photoaffinity-labeling experiments revealed that amiloride-type inhibitors bind to the interfacial domain of multiple core subunits (49 kDa, ND1, and PSST) and the 39-kDa supernumerary subunit, although the latter does not make up the channel cavity in the current models. The binding of amilorides to the multiple target subunits was remarkably suppressed by other quinone-site inhibitors and SF-UQs. Taken together, the present results are difficult to reconcile with the current channel models. On the basis of comprehensive interpretations of the present results and of previous findings, we discuss the physiol. relevance of these models. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7COA of Formula: C9H10O4).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) 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. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.COA of Formula: C9H10O4

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

The Discovery of a Novel Phosphodiesterase (PDE) 4B-Preferring Radioligand for Positron Emission Tomography (PET) Imaging was written by Zhang, Lei;Chen, Laigao;Beck, Elizabeth M.;Chappie, Thomas A.;Coelho, Richard V.;Doran, Shawn D.;Fan, Kuo-Hsien;Humphrey, John M.;Hughes, Zoe;Kuszpit, Kyle;Lachapelle, Erik A.;Lazzaro, John T.;Mather, Robert J.;Patel, Nandini C.;Skaddan, Marc B.;Sciabola, Simone;Verhoest, Patrick R.;Young, Joseph M.;Zasadny, Kenneth;Villalobos, Anabella. And the article was included in Journal of Medicinal Chemistry in 2017.Category: ethers-buliding-blocks This article mentions the following:

As part of our effort in identifying phosphodiesterase (PDE) 4B-preferring inhibitors for the treatment of central nervous system (CNS) disorders, we sought to identify a positron emission tomog. (PET) ligand to enable target occupancy measurement in vivo. Through a systematic and cost-effective PET discovery process, involving expression level (B_max) and biodistribution determination, a PET-specific structure-activity relationship (SAR) effort, and specific binding assessment using a LC-MS/MS “cold tracer” method, we have identified 8 (PF-06445974) as a promising PET lead. Compound 8 has exquisite potency at PDE4B, good selectivity over PDE4D, excellent brain permeability, and a high level of specific binding in the “cold tracer” study. In subsequent non-human primate (NHP) PET imaging studies, [¹⁸F]8 showed rapid brain uptake and high target specificity, indicating that [¹⁸F]8 is a promising PDE4B-preferring radioligand for clin. PET imaging. In the experiment, the researchers used many compounds, for example, 4-Bromo-2,6-difluoroanisole (cas: 104197-14-0Category: ethers-buliding-blocks).

4-Bromo-2,6-difluoroanisole (cas: 104197-14-0) 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. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.Category: ethers-buliding-blocks

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

Infrared absorption spectrum of deuteriated polyvinyl alcohol was written by Ukida, Junji;Nishino, Yutaka;Komiami, Tsugio. And the article was included in Nippon Kagaku Kaishi (1921-47) in 1955.HPLC of Formula: 54916-28-8 This article mentions the following:

Polyvinyl alc. (I) (0.05 g.) (degree of polymerization, 920) was dissolved in 1 cc. 46.4% D₂O, warmed in a sealed vessel at 70鎺?for 1 hr. and then at 50鎺?for 3 hrs., poured onto a Hg surface, and dried to obtain a transparent film of 0.03-mm. thickness. The film showed a characteristic band at 4.01 娓?of O椤氬儊 stretching vibration, which is ascribed to OD radical formed by replacing OH radical in I with D₂O; the O椤氬儊 absorption of D₂O appeared at 3.88 娓? In the experiment, the researchers used many compounds, for example, 1-(4-(4-Methoxyphenoxy)phenyl)ethanone (cas: 54916-28-8HPLC of Formula: 54916-28-8).

1-(4-(4-Methoxyphenoxy)phenyl)ethanone (cas: 54916-28-8) 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, 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閳ユ椊 or N閳ユ椊 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.HPLC of Formula: 54916-28-8

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

Synthesis and properties of 2-Bromo-7-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-2,4,6-cycloheptatrien-1-one was written by Kubo, Kanji;Mori, Akira;Takeshita, Hitoshi. And the article was included in Heterocycles in 2009.Formula: C10H21NO4 This article mentions the following:

2-Bromo-7-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)tropone (I) was found to display unique absorption spectral changes in the presence of guest cations. The complexes of I with guest salts were 1:1 for Mg(SCN)₂, Ca(SCN)₂, and Ba(SCN)₂, 1:2 for CdI₂ and 1:1.5 for Zn(SCN)₂, resp. Azacrown ether I could be used as a carrier for transport of Hg²⁺ through a chloroform liquid membrane. In the experiment, the researchers used many compounds, for example, 1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3Formula: C10H21NO4).

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

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

Efficient iron single-atom catalysts for selective ammoxidation of alcohols to nitriles was written by Sun, Kangkang;Shan, Hongbin;Neumann, Helfried;Lu, Guo-Ping;Beller, Matthias. And the article was included in Nature Communications in 2022.Reference of 105-13-5 This article mentions the following:

Zeolitic imidazolate frameworks derived Fe₁-N-C catalysts with isolated single iron atoms were synthesized and applied for selective ammoxidation reactions. For the preparation of the different Fe-based materials, benzylamine as an additive proved to be essential to tune the morphol. and size of ZIFs resulting in uniform and smaller particles, which allowed stable atomically dispersed Fe-N₄ active sites. The optimal catalyst Fe₁-N-C achieved an efficient synthesis of various aryl, heterocyclic, allylic, and aliphatic nitriles from alcs. in water under very mild conditions. With its chemoselectivity, recyclability, high efficiency under mild conditions this new system complemented the toolbox of catalysts for nitrile synthesis, which were important intermediates with many applications in life sciences and industry. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Reference of 105-13-5).

(4-Methoxyphenyl)methanol (cas: 105-13-5) 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 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.Reference of 105-13-5

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

Rhodium-catalyzed borylation of aryl 2-pyridyl ethers through cleavage of the carbon-oxygen bond: borylative removal of the directing group was written by Kinuta, Hirotaka;Tobisu, Mamoru;Chatani, Naoto. And the article was included in Journal of the American Chemical Society in 2015.SDS of cas: 365564-07-4 This article mentions the following:

Aryl 2-pyridyl ethers ArOPy-2 undergo rhodium-catalyzed borylative C^Ar-O bond activation in reaction with diboronates B₂pin2 and B₂neo₂, giving arylboronic esters ArB(OR)₂ together with 2-pyridone; the o-directing 2-pyridyl groups may be used for regioselective functionalization prior to borylation, thus accessing o-functionalized arylboronates. The straightforward synthesis of 1,2-disubstituted arenes was enabled through catalytic ortho C-H bond functionalization directed by the 2-pyridyloxy group followed by substitution of this group with a boryl group. Several control experiments revealed that the presence of a sp² nitrogen atom at the 2-position of the substrate and the use of a boron-based reagent were crucial for the activation of the relatively inert C(aryl)-O bond of aryl 2-pyridyl ethers. In the experiment, the researchers used many compounds, for example, 2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 365564-07-4SDS of cas: 365564-07-4).

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

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

Synthesis and immunosuppressive effects of novel phthalazinone derivatives was written by Wang, Ya-li;Wang, Qing-he;Yang, Hong-guang;Hao, Bo-jun;Liang, Guo-dong;Jiang, Chong-guo;Cheng, Mao-sheng. And the article was included in Yaoxue Xuebao in 2013.Quality Control of 3-(2,4-Dimethoxyphenyl)acrylic acid This article mentions the following:

A series of phthalazinone compounds were synthesized and the structures were confirmed by ¹H NMR and HR-MS spectrum. All target compounds were obtained through 7 steps, including selective reduction, nitration, bromination, ring enlargement, reduction, Knoevenagel condensation and acylation. The compounds were evaluated for their immunosuppressive effects on T-cell proliferation and inhibitory activity on IMPDH type II in vitro, as well as their structure-activity relationship were assessed. Several compounds exhibited strong immunosuppressive properties, especially compounds 7f and 7h, with IC₅₀ values of 0.093娓璵ol璺疞^-1 and 0.14 娓璵ol璺疞^-1, resp., which were superior to mycophenolic acid. The information obtained from the studies may be useful for further research on the immunosuppressive agents. In the experiment, the researchers used many compounds, for example, 3-(2,4-Dimethoxyphenyl)acrylic acid (cas: 6972-61-8Quality Control of 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, 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. 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.Quality Control of 3-(2,4-Dimethoxyphenyl)acrylic acid

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

Palladium catalyzed migratory heck coupling of arteannuin B and boronic acids: An approach towards the synthesis of antiproliferative agents in breast and lung cancer cells was written by Rasool, Javeed Ur;Mir, Khalid Bashir;Shaikh, Majeed;Bhat, Aabid H.;Nalli, Yedukondalu;Khalid, Anam;Ahmad, Syed Mudabir;Goswami, Anindya;Ali, Asif. And the article was included in Bioorganic Chemistry in 2022.Formula: C14H15BO4 This article mentions the following:

We have recently highlighting the role of spiroisoxazoline arteannuin B derivatives in mediating proinflammatory cytokines like IL-6, TNf浼?and NO in vitro. In the present study, a series of new 灏?arylated arteannuin B analogs were synthesized through coupling with arylboroic acids and evaluated for their in vitro cytotoxic activity in a panel of six cancer cell lines. The binding efficiency was verified by docking of the original ligand within the active site of ATPase domain of GRP78 (PDB ID: 3LDL) at a resolution of 2.30 鑴?with the score energy of -8.07 kcal/mol. Among the new compounds 4-trifloromethane 灏?Ph arteannuin B, 4-Chloro 灏?Ph arteannuin B, 4-Et 灏?Ph arteannuin B, 4-Fluoro 灏?Ph arteannuin B, 3-Bromo-5-fluoro 灏?Ph arteannuin B and 4-OBn p-methoxy 灏?Ph arteannuin B displayed potent cytotoxic potential with an IC₅₀ from 2 to 18娓璏 and compound 4-Fluoro 灏?Ph arteannuin B was proven to be the most potent cytotoxic and anti-proliferative compound of all the six distinct cell lines. Compound 4-Fluoro 灏?Ph arteannuin B exhibited promising apoptosis inducing potential in breast cancer cells and stalled their wound healing properties and was effective in blocking the migration of cancer cells. In the experiment, the researchers used many compounds, for example, (4-((4-Methoxybenzyl)oxy)phenyl)boronic acid (cas: 156635-90-4Formula: C14H15BO4).

(4-((4-Methoxybenzyl)oxy)phenyl)boronic acid (cas: 156635-90-4) 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. 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: C14H15BO4

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

Direct and regioselective iodination and bromination of benzene, naphthalene and other activated aromatic compounds using iodine and bromine or their sodium salts in the presence of the Fe(NO₃)₃璺?.5N₂O₄/charcoal system was written by Firouzabadi, H.;Iranpoor, N.;Shiri, M.. And the article was included in Tetrahedron Letters in 2003.HPLC of Formula: 75581-11-2 This article mentions the following:

Direct and regioselective iodination and bromination of benzene, naphthalene and other activated aromatic compounds with I and Br or their Na salts proceed well in the presence of Fe(NO₃)₃璺?.5N₂O₄/charcoal in CH₂Cl₂ at room temperature In the experiment, the researchers used many compounds, for example, 4-Iodo-1-methoxy-2-methylbenzene (cas: 75581-11-2HPLC of Formula: 75581-11-2).

4-Iodo-1-methoxy-2-methylbenzene (cas: 75581-11-2) 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閳ユ彊閳ユ弲 linkages. In dimethyl ether, the bond angle is 111鎺?and C閳ユ彊 distances are 141 pm. The barrier to rotation about the C閳ユ彊 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: 75581-11-2

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