Tag: M.W=250-300

Jennings, Julia J.; Milic, Mira; Targos, Karina; Franz, Annaliese K. published the artcile< NMR quantification of H-bond donating ability for bioactive functional groups and isosteres>, Reference of 76-84-6, the main research area is pharmaceutical hydrogen bond donor functional group NMR spectroscopy; (31)P NMR spectroscopy; Binding interaction; Drug fragment; Drug molecule; Hydrogen-bond donors; Isostere; Molecular interactions; Parameterization; Small molecules; TEPO.

The H-bond donating ability for 127 compounds including drug fragments and isosteres have been quantified using a simple and rapid method with 31P NMR spectroscopy. Functional groups important to medicinal chem. were evaluated including carboxylic acids, alcs., phenols, thioic acids and nitrogen group H-bond donors. 31P NMR shifts for binding to a phosphine oxide probe have a higher correlation with equilibrium constants for H-bonding (log KHA) than acidity (pKa), indicating that these binding experiments are representative of H-bonding ability and not proton transfer. Addnl., 31P NMR binding data for carboxylic acid isosteres correlates with physicochem. properties such as lipophilicity, membrane permeability and plasma protein binding. This method has been used to evaluate the H-bond donating ability of small mol. drug compounds such as NSAIDs and antimicrobials.

European Journal of Medicinal Chemistry published new progress about Antimicrobial agents. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Reference of 76-84-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Kamal Md.; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe published the artcile< Hydrogen-atom and oxygen-atom transfer reactivities of iron(IV)-oxo complexes of quinoline-substituted pentadentate ligands>, Product Details of C19H16O, the main research area is iron quinolinylpyridylmethylamine complex preparation; crystal structure iron quinolinylpyridylmethylamine complex.

A series of iron(II) complexes with the general formula [FeII(L2-Qn)(L)]n+ (n = 1, L = F-, Cl-; n = 2, L = NCMe, H2O) were isolated and characterized. The X-ray crystallog. data reveals that metal-ligand bond distances vary with varying ligand field strengths of the sixth ligand. While the complexes with fluoride, chloride and water as axial ligand are high spin, the acetonitrile-coordinated complex is in a mixed spin state. The steric bulk of the quinoline moieties forces the axial ligands to deviate from the Fe-N-axial axis. A higher deviation/tilt is noted for the high spin complexes, while the acetonitrile coordinated complex displays least deviation. This deviation from linearity is slightly less in the analogous low-spin iron(II) complex [FeII(L1-Qn)(NCMe)]2+ of the related asym. ligand L1-Qn due to the presence of only one sterically demanding quinoline moiety. The two iron(II)-acetonitrile complexes [FeII(L2-Qn)(NCMe)]2+ and [FeII(L1-Qn)(NCMe)]2+ generate the corresponding iron(IV)-oxo species with higher thermal stability of the species supported by the L1-Qn ligand. The crystallog. and spectroscopic data for [FeIV(O)(L1-Qn)](ClO4)2 bear resemblance to other crystallog. characterized S = 1 iron(IV)-oxo complexes. The hydrogen atom transfer (HAT) and oxygen atom transfer (OAT) reactivities of both the iron(IV)-oxo complexes were investigated, and a Box-Behnken multivariate optimization of the parameters for catalytic oxidation of cyclohexane by [FeII(L2-Qn)(NCMe)]2+ using hydrogen peroxide as the terminal oxidant is presented. An increase in the average Fe-N bond length in [FeII(L1-Qn)(NCMe)]2+ is also manifested in higher HAT and OAT rates relative to the other reported complexes of ligands based on the N4Py framework. The results reported here confirm that the steric influence of the ligand environment is of critical importance for the reactivity of iron(IV)-oxo complexes, but addnl. electronic factors must influence the reactivity of iron-oxo complexes of N4Py derivatives

Dalton Transactions published new progress about Crystal structure. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Product Details of C19H16O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fleychuk, Roman; Vuytsyk, Lidiya; Kohut, Ananiy; Hevus, Orest published the artcile< Synthesis of epoxyperoxides and peroxide derivatives of α-D-galactopyranose based thereon>, Formula: C12H20O6, the main research area is galactopyranose peroxide preparation thermal stability.

New epoxide-containing peroxides were synthesized via the interaction between epichlorohydrin and ditertiary ω-hydroxyalkyl peroxides. The effect of reaction conditions on both the yield and composition of the reaction products was established. Through the reactions of either the synthesized epoxide-containing peroxides with 1,2;3,4-di-O-isopropylidene-α-D-galactopyranose or 6-O-glycidyl-1,2;3,4-di-O-isopropylidene-α-D-galactopyranose with the ω-hydroxyalkyl peroxides, new peroxide derivatives with ditertiary and primary-tertiary peroxide groups were synthesized successfully. The decomposition of the developed substances was studied by complex thermal anal. and the kinetic parameters of the thermolysis was determined

Chemistry & Chemical Technology published new progress about Activation energy. 4064-06-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H20O6, Formula: C12H20O6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ou, Wei; Xiang, Xudong; Zou, Ru; Xu, Qing; Loh, Kian Ping; Su, Chenliang published the artcile< Room-Temperature Palladium-Catalyzed Deuterogenolysis of Carbon Oxygen Bonds towards Deuterated Pharmaceuticals>, Recommanded Product: Triphenylmethanol, the main research area is palladium catalyzed deuterogenolysis carbon oxygen bond preparation deuterated pharmaceutical; alc ketone deoxygenative deuteration; chemoselectivity; deoxygenative deuteration; drug molecules; electrocatalysis; reduction.

Site-specific incorporation of deuterium into drug mols. to study and improve their biol. properties is crucial for drug discovery and development. Herein, we describe a palladium-catalyzed room-temperature deuterogenolysis of carbon-oxygen bonds in alcs. and ketones with D2 balloon for practical synthesis of deuterated pharmaceuticals and chems. with benzyl-site (sp3 C-H) D-incorporation. The highlights of this deoxygenative deuteration strategy are mild conditions, broad scope, practicability and high chemoselectivity. To enable the direct use of D2O, electrocatalytic D2O-splitting is adapted to in situ supply D2 on demand. With this system, the precise incorporation of deuterium in the metabolic position (benzyl-site) of ibuprofen is demonstrated in a sustainable and practical way with D2O.

Angewandte Chemie, International Edition published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Recommanded Product: Triphenylmethanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Blaszczyk, Stephanie A.; Xiao, Guozhi; Wen, Peng; Hao, Hua; Wu, Jessica; Wang, Bo; Carattino, Francisco; Li, Ziyuan; Glazier, Daniel A.; McCarty, Bethany J.; Liu, Peng; Tang, Weiping published the artcile< S-Adamantyl Group Directed Site-Selective Acylation: Applications in Streamlined Assembly of Oligosaccharides>, Formula: C12H20O6, the main research area is regioselective acylation glycosylation glycoside; transition state steric DFT thioglycoside oligosaccharide thioglycosylation adamantane; acylation; carbohydrates; glycosylation; noncovalent interactions; synthetic methods.

The site-selective functionalization of carbohydrates is an active area of research. Reported here is the surprising observation that the sterically encumbered adamantyl group directed site-selective acylation at the C2 position of S-glycosides through dispersion interactions between the adamantyl C-H bonds and the π system of the cationic acylated catalyst, which may have broad implications in many other chem. reactions. Because of their stability, chem. orthogonality, and ease of activation for glycosylation, the site-selective acylation of S-glycosides streamlines oligosaccharide synthesis and will have wide applications in complex carbohydrate synthesis.

Angewandte Chemie, International Edition published new progress about Acylation. 4064-06-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H20O6, Formula: C12H20O6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lubov, Dmitry P.; Bryliakova, Anna A.; Samsonenko, Denis G.; Sheven, Dmitriy G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. published the artcile< Palladium-Aminopyridine Catalyzed C-H Oxygenation: Probing the Nature of Metal Based Oxidant>, Product Details of C19H16O, the main research area is palladium aminopyridine catalyzed carbon hydrogen bond oxygenation mechanism.

A mechanistic study of direct selective oxidation of benzylic C(sp3)-H groups with peracetic acid, catalyzed by palladium complexes with tripodal amino-tris(pyriylmethyl) ligands, is presented. The oxidation of arylalkanes having secondary and tertiary benzylic C-H groups, predominantly yields, depending on the substrate and conditions, either the corresponding ketones or alcs. One of the three 2-pyridylmethyl moieties, which is pending in the starting catalyst, apparently, facilitates the active species formation and takes part in stabilization of the high-valent Pd center in the active species, occupying the axial coordination site of palladium. The catalytic, as well as isotopic labeling experiments, in combination with ESI-MS data and DFT calculations, point out palladium oxyl species as possible catalytically active sites, operating essentially via C-H abstraction/oxygen rebound pathway. For the ketones formation, O-H abstraction/β-scission mechanism has been proposed.

ChemCatChem published new progress about Alkylarenes Role: PEP (Physical, Engineering or Chemical Process), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Product Details of C19H16O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hu, Chen; Hong, Gang; Nahide, Pradip D.; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin published the artcile< C(sp3)-H Hydroxylation of fluorenes, oxindoles and benzofuranones with a Mg(NO3)2-HP(O)Ph2 oxidation system>, Safety of Triphenylmethanol, the main research area is hydroxyfluorene preparation; fluorene hydroxylation; hydroxyoxindole preparation; oxindole hydroxylation; hydroxybenzofuranone preparation; benzofuranone hydroxylation.

A novel oxidation system consisting of magnesium nitrate [Mg(NO3)2] as an oxidant in the presence of diphenylphosphine oxide [HP(O)Ph2] was developed for the synthesis of hydroxyfluorenes I [R = n-Pr, Ph, 1-naphthyl, etc.; R1 = H, 2-NO2], hydroxyoxindoles II [R2 = Me, Ph, Bn, etc.; R3 = H, 5-Me, 5-t-Bu, etc.; X = NMe, NBn] and hydroxybenzofuranones II [X = O] via C(sp3)-H hydroxylation of fluorenes, oxindoles and benzofuranones. This method featured high efficiency, good functional group tolerance and operational simplicity.

Organic Chemistry Frontiers published new progress about Benzofurans Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Safety of Triphenylmethanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hu, Zhifei; Tang, Yu; Yu, Biao published the artcile< Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism>, SDS of cas: 4064-06-6, the main research area is glycosylation methylphenylethynylphenylphenyl steroid glycoside mechanism disaccharide.

A highly effective and versatile glycosylation method is developed, which uses 3,5-dimethyl-4-(2′-phenylethynylphenyl)phenyl (EPP) glycosides as donors and NIS/TMSOTf as promoter and proceeds via an unprecedented dearomative activation mechanism.

Journal of the American Chemical Society published new progress about Disaccharides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 4064-06-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H20O6, SDS of cas: 4064-06-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Xinya; Wang, Xiaohua; Zhen, Nuo; Gu, Jin; Zhang, Hao; Dong, Bo; Wang, Feng; Liu, Heng published the artcile< Sodium complexes bearing cavity-like conformations: a highly active and well-controlled catalytic system for macrolactone homo- and copolymerization>, COA of Formula: C19H16O, the main research area is sodium complex catalyst ROP macrolactone homo copolymerization.

This report describes the synthesis of a series of sodium complexes bearing cavity-like conformations formed with the aid of sterically hindered phenoxide and 15-crown-5 ether ligands. All the complexes are well-characterized via NMR spectroscopy anal., and through single crystal X-ray studies and DFT calculations it is found that the size of the cavity is very similar to that of macrolactone monomers. During subsequent studies of the ring-opening polymerization (ROP) of macrolactones, the present sodium complexes demonstrate high catalytic efficiencies in the ROP of pentadecalactone and ethylene brassylate, affording the corresponding polyester products in high yields. Moreover, due to chain propagation being confined within the cavity, transesterification can be suppressed because of mutual steric repulsion between the ligands and polymer chains, which further allows polymerization to proceed in a well-controlled manner. Owing to such uniqueness, block copolymerization between macrolactones and other cyclic esters can be also successfully achieved.

Polymer Chemistry published new progress about Crystal structure. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, COA of Formula: C19H16O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Dubey, Atul; Sangwan, Rekha; Mandal, Pintu Kumar published the artcile< N-benzoylglycine/thiourea cooperative catalyzed stereoselective O-glycosidation: Activation of O-glycosyl trichloroacetimidate donors>, Recommanded Product: ((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-5-yl)methanol, the main research area is glycoside preparation benzoylglycine thiourea cooperative catalyzed stereoselective glycosidation; benzoylglycine thiourea cooperative catalyzed stereoselective glycosidation trichloroacetimidate donor activation.

A new practical utility for β-stereoselective glycosylation via activation of O-glycosyl trichloroacetimidate donors using N-benzoylglycine/thiourea cooperative catalysis has been demonstrated. This method represents the first instance where amino acid derived N-benzoylglycine is used as a catalyst for O-glycosylation under mild reaction conditions at ambient temperature NMR spectroscopy studies suggest that thiourea cocatalyst exhibit a cooperative behavior that has a strong effect on the reaction rate, yield, and the β-selectivity.

Catalysis Communications published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 4064-06-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H20O6, Recommanded Product: ((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-5-yl)methanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts