Results 11 to 20 of about 68 (61)
Kinetic evaluation of the solvolysis of isobutyl chloro- and chlorothioformate esters
Beilstein Journal of Organic Chemistry, 2011 The specific rates of solvolysis of isobutyl chloroformate (1) are reported at 40.0 °C and those for isobutyl chlorothioformate (2) are reported at 25.0 °C, in a variety of pure and binary aqueous organic mixtures with wide ranging nucleophilicity and ...
Malcolm J. D’Souza +4 more
doaj +1 more source
CORRELATION ANALYSIS OF IR, 1 H- AND 13 C-NMR SPECTRAL DATA OF N-ALKYL AND N-CYCLOALKYL CYANOACETAMIDES [PDF]
Chemical Industry and Chemical Engineering Quarterly, 2011 Linear free energy relationships (LFER) were applied to the IR, 1H- and 13C--NMR spectral data in N-alkyl and N-cycloalkyl cyanoacetamides. N-alkyl and N-cycloalkyl cyanocetamides were synthesized from corresponding amine and ethyl cyanoacetate. A number
Aleksandar D. Marinković +4 more
doaj
Considerations in Pursuing Reaction Scope Generality
Angewandte Chemie, Volume 137, Issue 41, October 6, 2025.Synthetic methods that are applicable to a broad range of substrates are sought after, owing to their utility in industrial settings. This minireview describes considerations associated with how chemists define and identify general methods, especially with the emergence of modern analytical, high‐throughput, and data science tools in chemistry, and ...
Samson B. Zacate +4 more
wiley +2 more sources
An Atomically Dispersed Photocatalyst for Undirected para‐Selective C─H Bond Functionalizations
Angewandte Chemie, Volume 137, Issue 33, August 11, 2025.This study presents an atomically dispersed recyclable heterogeneous photocatalytic method for para‐selective trifluoromethylation of electron‐deficient arenes without directing groups. Unlike previous substrate‐dependent approaches, this recyclable, atomically dispersed photocatalyst enables scalable synthesis of bioactive trifluoromethylated ...
Suman Pradhan +16 more
wiley +2 more sources
QSAR Analysis and ADMET Prediction of Tamoxifen Derivatives Using LFER Hansch Model
Pharmaceutical and Biomedical Sciences Journal (PBSJ)Tamoxifen is a pharmaceutical compound that can be widely used in the therapeutic regimen for breast cancer, particularly for postmenopausal women. Nevertheless, this clinical efficacy is frequently diminished and limited due to the emergence of drug resistance and heterogeneous therapeutic impacts with different degrees of severity.
Andzar Fikranus Shofa +5 more
openaire +1 more source
ChemSusChem, Volume 18, Issue 6, March 15, 2025.Novel organic solvents with an unmodified carbohydrate core were synthesised both from D‐xylose and directly from biomass and were successfully used as reaction media for lipase biocatalysts to synthesise aliphatic and aromatic polyesters. Abstract The use of organic solvents in academic research and industry applications is facing increasing ...
Anastasia O. Komarova +8 more
wiley +1 more source
Metal‐Free Ligand‐Centered Radical Scavenging in Pyridine‐Modified Tetraaza Macrocycles
European Journal of Organic Chemistry, EarlyView.Ligand‐centered hydrogen‐atom transfer in pyridinophane macrocycles generates delocalized radicals, with Py2N2 enabling cooperative captodative stabilization and enhanced DPPH• quenching. Pyridine‐modified tetraaza macrocycles are widely studied as ligand platforms for metal coordination, yet their intrinsic redox and radical reactivity in the absence ...
Christina Mantsorov +9 more
wiley +1 more source
Machine Learning for Synthetic Organic Chemistry: Methods, Applications, and Best Practices
Angewandte Chemie Novit, Volume 2, Issue 3, September 2026.Artificial intelligence (AI) and machine learning (ML) are increasingly reshaping experimental chemistry. This review maps the challenges of synthetic organic chemistry to modern digital tools that can help address them. While focusing on the practical application of ML tools in real‐world laboratory settings, we outline prerequisites, emerging ...
Niklas Hölter +3 more
wiley +1 more source
Angewandte Chemie, Volume 136, Issue 48, November 25, 2024.We explore the difference between enantiomeric excess (ee) and relative Gibbs free activation energies (ΔΔG≠) as modeling targets in asymmetric catalysis. Through data analysis and application of modern machine learning methods, we unveil the strengths and limitations of each approach.
Marcel Ruth +2 more
wiley +2 more sources
Substituent Effects on Cyanine Dyes Vary with Position and Chain Length
Advanced Optical Materials, Volume 14, Issue 19, 22 May 2026.In cyanines, substituent effects vary as a function of substituent position and cyanine length. Electron‐donating‐ and ‐withdrawing groups at meso‐ and α‐positions of 4n+1/4n−1 long cyanines (n = 1, 2, 3…) cause opposing, hypsochromic and bathochromic shifts of the 1st UV–vis absorption bands.
David Dunlop +2 more
wiley +1 more source