Automation and computer-assisted planning for chemical synthesis

Y Shen, JE Borowski, MA Hardy, R Sarpong… - Nature Reviews …, 2021 - nature.com
The molecules of today—the medicines that cure diseases, the agrochemicals that protect
our crops, the materials that make life convenient—are becoming increasingly sophisticated …

Synthetic methodologies of achiral diarylmethanols, diaryl and triarylmethanes (TRAMs) and medicinal properties of diaryl and triarylmethanes-an overview

S Mondal, G Panda - RSC Advances, 2014 - pubs.rsc.org
The last decade has witnessed a high demand of various synthetic approaches towards
bioactive achiral diarylmethanols, diaryl and triarylmethanes and the molecules derived …

Univariate classification of phosphine ligation state and reactivity in cross-coupling catalysis

SH Newman-Stonebraker, SR Smith, JE Borowski… - Science, 2021 - science.org
Chemists often use statistical analysis of reaction data with molecular descriptors to identify
structure-reactivity relationships, which can enable prediction and mechanistic …

Nickel-catalyzed cross couplings of benzylic ammonium salts and boronic acids: stereospecific formation of diarylethanes via C–N bond activation

P Maity, DM Shacklady-McAtee, GPA Yap… - Journal of the …, 2013 - ACS Publications
We have developed a nickel-catalyzed cross coupling of benzylic ammonium triflates with
aryl boronic acids to afford diarylmethanes and diarylethanes. This reaction proceeds under …

Nickel-catalyzed cross-couplings of benzylic pivalates with arylboroxines: stereospecific formation of diarylalkanes and triarylmethanes

Q Zhou, HD Srinivas, S Dasgupta… - Journal of the American …, 2013 - ACS Publications
We have developed a stereospecific nickel-catalyzed cross-coupling of benzylic pivalates
with arylboroxines. The success of this reaction relies on the use of Ni (cod) 2 as the catalyst …

Catalytic enantioselective α-arylation of carbonyl enolates and related compounds

YJ Hao, XS Hu, Y Zhou, J Zhou, JS Yu - ACS Catalysis, 2019 - ACS Publications
Optically active α-arylation carbonyl units are widely present in a wide variety of drugs,
bioactive natural products, and valuable pharmacologically active molecules. Catalytic …

Chiral Brønsted acid-catalyzed Friedel–Crafts alkylation of electron-rich arenes with in situ-generated ortho-quinone methides: highly enantioselective synthesis of …

S Saha, SK Alamsetti, C Schneider - Chemical Communications, 2015 - pubs.rsc.org
We disclose herein a highly enantioselective protocol for the Brønsted acid-catalyzed
addition of indoles and phenols to in situ-generated ortho-quinone methides which deliver …

Retention or inversion in stereospecific nickel-catalyzed cross-coupling of benzylic carbamates with arylboronic esters: control of absolute stereochemistry with an …

MR Harris, LE Hanna, MA Greene… - Journal of the …, 2013 - ACS Publications
Stereospecific coupling of benzylic carbamates and pivalates with aryl-and
heteroarylboronic esters has been developed. The reaction proceeds with selective …

Cyclopentyl methyl ether: an elective ecofriendly ethereal solvent in classical and modern organic chemistry

U Azzena, M Carraro, L Pisano, S Monticelli… - …, 2019 - Wiley Online Library
Solvents represent one of the major contributions to the environmental impact of fine‐
chemical synthesis. As a result, the use of environmentally friendly solvents in widely …

Feedstocks to pharmacophores: Cu-catalyzed oxidative arylation of inexpensive alkylarenes enabling direct access to diarylalkanes

A Vasilopoulos, SL Zultanski… - Journal of the American …, 2017 - ACS Publications
A Cu-catalyzed method has been identified for selective oxidative arylation of benzylic C–H
bonds with arylboronic esters. The resulting 1, 1-diarylalkanes are accessed directly from …