Month: October 2022

Quality Control of (4-Bromophenyl)methanolIn 2020 ,《Room-Temperature Guerbet Reaction with Unprecedented Catalytic Efficiency and Enantioselectivity》 was published in Angewandte Chemie, International Edition. The article was written by Ng, Teng Wei; Liao, Gang; Lau, Kai Kiat; Pan, Hui-Jie; Zhao, Yu. The article contains the following contents:

The authors report herein an unprecedented highly efficient Guerbet-type reaction at room temperature (catalytic TON up to >6000). This β-alkylation of secondary Me carbinols with primary alcs. has significant advantage of delivering higher-order secondary alcs. in an economical, redox-neutral fashion. In addition, the first enantioselective Guerbet reaction also was achieved using a com. available chiral ruthenium complex to deliver secondary alcs. with moderate yield and up to 92% ee. In both reactions, the use of a traceless ketone promoter proved to be beneficial for the catalytic efficiency. The experimental part of the paper was very detailed, including the reaction process of (4-Bromophenyl)methanol(cas: 873-75-6Quality Control of (4-Bromophenyl)methanol)

(4-Bromophenyl)methanol(cas: 873-75-6) undergoes three-component reaction with acetylferrocene and arylboronic acid to give ferrocenyl ketones containing biaryls.Quality Control of (4-Bromophenyl)methanol It undergoes oxidation reaction in the presence of polyvinylpolypyrrolidone-supported hydrogen peroxide, silica sulfuric acid and ammonium bromide to yield 4-bromobenzaldehyde.

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Name: trans-4-AminocyclohexanolIn 2021 ,《Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion》 was published in Journal of Medicinal Chemistry. The article was written by Cockerill, G. Stuart; Angell, Richard M.; Bedernjak, Alexandre; Chuckowree, Irina; Fraser, Ian; Gascon-Simorte, Jose; Gilman, Morgan S. A.; Good, James A. D.; Harland, Rachel; Johnson, Sara M.; Ludes-Meyers, John H.; Littler, Edward; Lumley, James; Lunn, Graham; Mathews, Neil; McLellan, Jason S.; Paradowski, Michael; Peeples, Mark E.; Scott, Claire; Tait, Dereck; Taylor, Geraldine; Thom, Michelle; Thomas, Elaine; Villalonga Barber, Carol; Ward, Simon E.; Watterson, Daniel; Williams, Gareth; Young, Paul; Powell, Kenneth. The article contains the following contents:

RV521 is an orally bioavailable inhibitor of respiratory syncytial virus (RSV) fusion that was identified after a lead optimization process based upon hits that originated from a phys. property directed hit profiling exercise at Reviral. This exercise encompassed collaborations with a number of contract organizations with collaborative medicinal chem. and virol. during the optimization phase in addition to those utilized as the compound proceeded through preclin. and clin. evaluation. RV521 exhibited a mean IC50 of 1.2 nM against a panel of RSV A and B laboratory strains and clin. isolates with antiviral efficacy in the Balb/C mouse model of RSV infection. Oral bioavailability in preclin. species ranged from 42 to >100% with evidence of highly efficient penetration into lung tissue. In healthy adult human volunteers exptl. infected with RSV, a potent antiviral effect was observed with a significant reduction in viral load and symptoms compared to placebo. In addition to this study using trans-4-Aminocyclohexanol, there are many other studies that have used trans-4-Aminocyclohexanol(cas: 27489-62-9Name: trans-4-Aminocyclohexanol) was used in this study.

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Name: trans-4-Aminocyclohexanol

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Related Products of 7748-36-9In 2020 ,《Solubility and Dissolution Behavior Analysis of 7-Azaindole in Pure and Binary Mixture Solvents at Temperatures Ranging from 278.15 to 323.15 K》 was published in Journal of Chemical & Engineering Data. The article was written by Deng, Zhenmei; Li, Fangzhao; Zhao, Guomin; Yang, Wenge; Hu, Yonghong. The article contains the following contents:

In this paper, the solubility of 7-azaindole was measured in nine pure solvents (ethanol, isopropanol, n-propanol, methanol, EA, acetone, acetonitrile, n-hexane, THF) as well as in three binary mixed solvents (acetone + n-hexane, THF + n-hexane, and isopropanol + n-hexane) by a gravimetric method at temperatures from 278.15 to 323.15 K under atm. pressure. The solubility of 7-azaindole in selected solvents is closely related to the temperature and solvent composition: in nine pure solvents, the order of solubility of 7-zazindole is THF > acetone > methanol > isopropanol ≥ EA > ethanol > acetonitrile > n-hexane when the temperature is below 298.15 K. Nevertheless, as the temperature increases continually (298.15-328.15 K), the order of solubility changes to THF > acetone > methanol > isopropanol > n-propanol > ethanol > EA > acetonitrile > n-hexane; in three binary mixed solvents, both the temperature and solvent composition can influence the solubility of 7-azaindole, and the latter has a greater impact. The modified Apelblat model, λh model, Jouyban-Acree model, and CNIBS/R-K equation were used to correlate the exptl. value. In these models, the Apelblat equation is more suitable for correlating 7-azaindole solubility in nine pure solvents; however, for three binary mixed solvents, the solubility of 7-azaindole is closer to the simulated value of the Jouyban-Acree model. Moreover, the KAT LASER model was used to deeply understand the influence of solvents on the solubility of 7-azaindole by multiple linear regression anal. (MLRA) of the solvent parameters involved in this model. In the experimental materials used by the author, we found Oxetan-3-ol(cas: 7748-36-9Related Products of 7748-36-9)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Related Products of 7748-36-9

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Application In Synthesis of 5-Hexen-1-olIn 2019 ,《Aryl Boronic Acid Catalysed Dehydrative Substitution of Benzylic Alcohols for C-O Bond Formation》 was published in Chemistry – A European Journal. The article was written by Estopina-Duran, Susana; Donnelly, Liam J.; McLean, Euan B.; Hockin, Bryony M.; Slawin, Alexandra M. Z.; Taylor, James E.. The article contains the following contents:

A combination of pentafluorophenylboronic acid and oxalic acid catalyzed the dehydrative substitution of benzylic alcs. with a second alc. to form new C-O bonds. This method had been applied to the intermol. substitution of benzylic alcs. to form sym. ethers I [R = H, Ph; Ar = Ph, 2-ClC6H4, 4-BrC6H4, etc.], intramol. cyclizations of diols to form aryl-substituted THF and tetrahydropyran derivatives II [Q = (CH2)n, n = 1,2; Ar = 4-MeOC6H4, 4-F3CC6H4], and intermol. crossed-etherification reactions between two different alcs. to give unsym. ethers III [R1 = Et, sec-Bu, 5-hexen-1-yl, etc.; R2 = Me, i-Pr, t-Bu, ethynyl, Ph; Ar = 3-BrC6H4, 2-MeOC6H4]. Mechanistic control experiments had identified a potential catalytic intermediate formed between the aryl boronic acid and oxalic acid. In the experiment, the researchers used many compounds, for example, 5-Hexen-1-ol(cas: 821-41-0Application In Synthesis of 5-Hexen-1-ol)

5-Hexen-1-ol(cas: 821-41-0) is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry.Application In Synthesis of 5-Hexen-1-ol

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Computed Properties of C3H8ClNOIn 2018 ,《Phenylthiazoles with tert-Butyl side chain: Metabolically stable with anti-biofilm activity》 was published in European Journal of Medicinal Chemistry. The article was written by Kotb, Ahmed; Abutaleb, Nader S.; Seleem, Mohamed A.; Hagras, Mohamed; Mohammad, Haroon; Bayoumi, Ashraf; Ghiaty, Adel; Seleem, Mohamed N.; Mayhoub, Abdelrahman S.. The article contains the following contents:

(Tert-butylphenyl)thiazolylpyrimidines I [R = H2N, MeNH, 1-pyrrolidinyl, 3-pyridinyl, EtNH, cyclopentylamino, cyclohexylamino, Me2N, 1-azetidinyl, 3-hydroxy-1-azetidinyl, 4-morpholinyl, H2NCH2CH2NH, H2NNH, tetramethylguanidinyl, R1C(:NH)NH; R1 = H2N, MeNH, Me2N, 1-pyrrolidinyl, 4-morpholinyl, 4-methyl-1-piperazinyl, 3-pyridinyl, 2-pyridinyl] were prepared as antibacterial agents and tested against methicillin-resistant Staphylococcus aureus (MRSA). I [R = H2NCH2CH2NH, R1C(:NH)NH; R1 = Me2N, 4-morpholinyl, 3-pyridinyl, 2-pyridinyl] were tested against vancomycin-resistant Staphylococcus aureus, methicillin- and cephalosporin-resistant Streptococcus pneumoniae, methicillin-resistant Staphylococcus epidermidis, Enterococcus faecalis, and Listeria monocytogenes, were tested for toxicity to human colorectal cells, and were tested for activity against MRSA biofilms. I (R = H2NCH2CH2NH) was tested for its stimulation of resistance in MRSA and for its pharmacokinetic properties (half-life, clearance, volumes fo distribution). The results came from multiple reactions, including the reaction of Azetidin-3-ol hydrochloride(cas: 18621-18-6Computed Properties of C3H8ClNO)

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Computed Properties of C3H8ClNO Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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《1,3,5-Triazine-Cored Maltoside Amphiphiles for Membrane Protein Extraction and Stabilization》 was written by Ghani, Lubna; Munk, Chastine F.; Zhang, Xiang; Katsube, Satoshi; Du, Yang; Cecchetti, Cristina; Huang, Weijiao; Bae, Hyoung Eun; Saouros, Savvas; Ehsan, Muhammad; Guan, Lan; Liu, Xiangyu; Loland, Claus J.; Kobilka, Brian K.; Byrne, Bernadette; Chae, Pil Seok. Name: 2-Aminopropane-1,3-diolThis research focused ontriazine maltoside amphiphiles membrane protein extraction stabilization. The article conveys some information:

Despite their major biol. and pharmacol. significance, the structural and functional study of membrane proteins remains a significant challenge. A main issue is the isolation of these proteins in a stable and functional state from native lipid membranes. Detergents are amphiphilic compounds widely used to extract membrane proteins from the native membranes and maintain them in a stable form during downstream anal. However, due to limitations of conventional detergents, it is essential to develop novel amphiphiles with optimal properties for protein stability in order to advance membrane protein research. Here we designed and synthesized 1,3,5-triazine-cored dimaltoside amphiphiles derived from cyanuric chloride. By introducing variations in the alkyl chain linkage (ether/thioether) and an amine-functionalized diol linker (serinol/diethanolamine), we prepared two sets of 1,3,5-triazine-based detergents. When tested with several model membrane proteins, these agents showed remarkable efficacy in stabilizing three transporters and two G protein-coupled receptors. Detergent behavior substantially varied depending on the detergent structural variation, allowing us to explore detergent structure-property-efficacy relationships. The 1,3,5-triazine-based detergents introduced here have significant potential for membrane protein study as a consequence of their structural diversity and universal stabilization efficacy for several membrane proteins. In the experiment, the researchers used 2-Aminopropane-1,3-diol(cas: 534-03-2Name: 2-Aminopropane-1,3-diol)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Name: 2-Aminopropane-1,3-diol

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《A Multistage Halogen Bond Catalyzed Strain-Release Glycosylation Unravels New Hedgehog Signaling Inhibitors》 was written by Xu, Chunfa; Loh, Charles C. J.. Related Products of 20880-92-6 And the article was included in Journal of the American Chemical Society on April 3 ,2019. The article conveys some information:

Halogen bonding (XB) has recently emerged as a promising noncovalent activation mode that can be employed in catalysis. However, methodologies utilizing XB remain rare, and the hydrogen-bonding (HB) catalysis congeners are more widespread in comparison. Herein, we demonstrate a remarkable case whereby employment of XB catalysis in strain-release glycosylation generates O,N-glycosides in excellent anomeric selectivity exceeding HB activation. Deeper investigation unraveled XB catalyst dependencies on multiple stages of the mechanism and a hitherto unknown XB-glycosyl acceptor activation. We present a proof of concept to interrogate sp3-rich glycosidic chem. space for novel biol. activity, by integrating XB-catalyzed construction of a glycosidic compound collection, and evaluating these analogs via cell-based phenotypic screens. We show that XB-catalyzed strain-release glycosylation defines a new class of glycosides that inhibit the hedgehog signaling pathway through a nonsmoothened mode of action, opening new opportunities to combat acquired cancer resistance. In the experiment, the researchers used ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6Related Products of 20880-92-6)

((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6) is a useful reactant for examining the effectiveness of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-​II (CA-​II)​.Related Products of 20880-92-6 And it is used as chiral auxiliaries in Michael and Aldol addition reactions.

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《Descriptors for fluorotelomere alcohols. Calculation of physicochemical properties》 was written by Abraham, Michael H.; Acree, William E.. Recommanded Product: 3,3,3-Trifluoropropan-1-ol And the article was included in Physics and Chemistry of Liquids in 2021. The article conveys some information:

Abraham model solute descriptors are calculated for several environmentally important fluorotelomer alcs. from published partition coefficient and solubility data. The various descriptors all show a gradual trend from 1:2FTOH to 8:2FTOH. The maximum deviation from self-consistent values is 0.19 log units in the calculations on vapor pressure (concentration in air) and solubility in water (concentration in water). In the experimental materials used by the author, we found 3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2Recommanded Product: 3,3,3-Trifluoropropan-1-ol)

3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2) is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.Recommanded Product: 3,3,3-Trifluoropropan-1-ol

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《Discovery of Potent and Fast-Acting Antimalarial Bis-1,2,4-triazines》 was written by Priebbenow, Daniel L.; Mathiew, Mitch; Shi, Da-Hua; Harjani, Jitendra R.; Beveridge, Julia G.; Chavchich, Marina; Edstein, Michael D.; Duffy, Sandra; Avery, Vicky M.; Jacobs, Robert T.; Brand, Stephen; Shackleford, David M.; Wang, Wen; Zhong, Longjin; Lee, Given; Tay, Erin; Barker, Helena; Crighton, Elly; White, Karen L.; Charman, Susan A.; De Paoli, Amanda; Creek, Darren J.; Baell, Jonathan B.. Category: alcohols-buliding-blocks And the article was included in Journal of Medicinal Chemistry on April 8 ,2021. The article conveys some information:

Novel 3,3′-disubstituted-5,5′-bi(1,2,4-triazine) compounds with potent in vitro activity against Plasmodium falciparum parasites were recently discovered. To improve the pharmacokinetic properties of the triazine derivatives, a new structure-activity relationship (SAR) investigation was initiated with a focus on enhancing the metabolic stability of lead compounds These efforts led to the identification of second-generation highly potent antimalarial bis-triazines, exemplified by triazine 23(I), which exhibited significantly improved in vitro metabolic stability (8 and 42μL/min/mg protein in human and mouse liver microsomes). The disubstituted triazine dimer 23 was also observed to suppress parasitemia in the Peters 4-day test with a mean ED50 value of 1.85 mg/kg/day and exhibited a fast-killing profile, revealing a new class of orally available antimalarial compounds of considerable interest. The results came from multiple reactions, including the reaction of 3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2Category: alcohols-buliding-blocks)

3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2) is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.Category: alcohols-buliding-blocks

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《Palladium-Catalyzed Regiodivergent Substitution of Propargylic Carbonates》 was published in Chemistry – A European Journal in 2016. These research results belong to Locascio, Theresa M.; Tunge, Jon A.. Product Details of 63012-03-3 The article mentions the following:

The palladium(0)-catalyzed, ligand-controlled, regioselective addition of diaryl acetonitrile pronucleophiles to propargylic carbonates is reported. Selective formation of either terminal 1,3-dienyl or propargylated products is proposed to arise from a change in reaction mechanism controlled by the denticity of the coordinating ligand. After reading the article, we found that the author used (3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3Product Details of 63012-03-3)

(3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3) belongs to hydroxy-containing compounds. Hydroxy-containing compounds engage in intermolecular hydrogen bonding increasing the electrostatic attraction between molecules and thus to higher boiling and melting points than found for compounds that lack this functional group.Product Details of 63012-03-3 Organic compounds, which are often poorly soluble in water, become water-soluble when they contain two or more hydroxy groups, as illustrated by sugars and amino acid.

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