A technically practicable synthesis of unknown N-beta-fluoroalkyl-substituted benzilic acid nortropine esters, among them (8r)-8-(2-fluoroethyl)-3 alpha-hydroxy-1 alpha H, 5 alpha H-tropanium bromide benzilic acid ester (flutropium bromide, Ba 598 BR), and their configuration isomeric quaternary salts via benzilic acid imidazolide is described. The quaternization which takes place with sufficiently high stereo-selectivity leads to configuration isomers which differ not only in their physico-chemical properties but also in their profile of pharmacological action.
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IUCrdata
October 2024
Nelson Mandela University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth, 6031, South Africa.
The title compound, CHO, is an α-hy-droxy-carb-oxy-lic acid whose ortho-rhom-bic polymorph has been reported earlier [Qiu (2007 ▸). , , 1819-1824]. The asymmetric unit contains two complete mol-ecules.
View Article and Find Full Text PDFAcc Chem Res
December 2024
State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, and Chemical Biology Center, Peking University, 38 Xueyuan Road, Beijing 100191, China.
Inorg Chem
December 2024
Key Laboratory of Polyoxometalate Science of the Ministry of Education, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China.
Multinuclear Pr-containing antimonotungstate [Pr(HO)WO(mal)(OAc)(αSbWO)] (, mal = malate anion, OAc = acetate anion), bridged by organic carboxylic acid, was synthesized through a one-pot assembly reaction and structurally characterized. is composed of four [αSbWO] fragments fused together by an organic-inorganic hybrid central [Pr(HO)WO(mal)(OAc)] cluster core through 24 μ-O atoms. Notably, the central cluster comprises unprecedented decanuclear Pr(HO)WO jointly decorated by two types of carboxylic acid ligands.
View Article and Find Full Text PDFFood Chem
January 2025
School of Biology and Chemistry, Key Laboratory for Analytical Science of Food and Environment Pollution of Qian Xi Nan, Xingyi Normal University for Nationalities, Xingyi 562400, PR China.
The highly efficient red-emissive carbon dots (R-CDs) were synthesized from citric acid, polyethyleneimine, and benzil via a facile solvothermal process. The R-CDs displayed maximum fluorescence properties at excitation and emission wavelengths of 550 and 631 nm, respectively, which fall within the red wavelength range. Moreover, the R-CDs exhibited a high fluorescence quantum yield of 11.
View Article and Find Full Text PDFChirality
August 2024
Department of Chemistry, University of Kansas, Lawrence, Kansas, USA.
In this work, we present simulations of the optical rotation (OR) for five molecular crystals at density functional theory level with periodic boundary conditions (DFT-PBC). Calculations are compared with experimental measurements and show semi-quantitative agreement with experimental data for three of the crystals: tartatic acid, benzil, and pentaerythritol. For the other two crystals, aspartic acid and glutamic acid, the calculated data are in qualitative agreement with, but two orders of magnitude smaller than, the experimental data.
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