@article{a497eddc3f1d464c88c97009b0c86597,
title = "Studies on rotational stability of 2-aryl-3-(2-fluorophenyl)quinazolin-4-one derivatives",
abstract = "The rotational barriers around an N-(2-F)C6H4 bond in 2-aryl-3-(2-fluorophenyl)quinazolin-4-ones considerably lowered (ca. 4 kcal mol-1 lower) in comparison with those of 2-alkyl-3-(2-fluorophenyl)quinazolin-4-ones. The transition state structure estimated by the DFT calculation indicates that the considerable decrease in the rotational barriers in 2-aryl derivatives is caused by the alleviation of the steric repulsion between an ortho-substituent of 2-fluorophenyl group and 2-aryl group.",
author = "Asumi Iida and Kazuya Saito and Nanami Asada and Yuuki Fujimoto and Osamu Kitagawa",
note = "Funding Information: We would like to thank Prof. Christian Roussel for useful discussions. This work was partly supported by JSPS KAKENNHI (C 20K06945). Publisher Copyright: {\textcopyright} 2021 Japan Institute of Heterocyclic Chemistry. All rights reserved.",
year = "2021",
doi = "10.3987/COM-20-S(K)10",
language = "English",
volume = "103",
journal = "Heterocycles",
issn = "0385-5414",
publisher = "Japan Institute of Heterocyclic Chemistry",
number = "1",
}