Detail of "4461-33-0"

Reference

Study of electronic and steric structure of acyl isocyanates by the methods of quantum chemistry

Study of electronic and steric structure of acyl isocyanates by the methods of quantum chemistry. Aminova, R. M.; Zobova, N. N.; Sagitova, R. N. (Kazan. Gos. Univ., Kazan, USSR). Dokl. Akad. Nauk SSSR, 273(4), 877-9 [Chem.] (Russian) 1983. CODEN: DANKAS. ISSN: 0002-3264. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) MO calcns. 4461-33-0 and 3998-25-2 are also in the experiment. were carried out for RCONCO (I; R = Me, CF3, Ph, CCl3). The electron d. distributions of the 1st 2 showed that the N atom in the most neg. site and the isocyanate C the most pos. The HOMO of I (R = Me) lies at higher energy than that of I (R = CF3). The reactivities of I in cycloaddns. were discussed on the basis of the MO results. The energetically preferred conformer of I (R = Me, CF3) has the C:O and N:C groups cis relative to the C-N bond. .

Studies of enamines

Studies of enamines. VIII. Reactions of emamino ketones with benzoyl and thiobenzoyl isocyanates. Tsuge, Otohiko; Inaba, Akitaka (Res. Inst. Ind. Sci., Kyushu Univ., Fukuoka, Japan). Bull. Chem. Soc. Jpn., 49(10), 2828-32 (English) 1976. CODEN: BCSJA8. DOCUMENT TYPE: Journal CA Section: 27 (Heterocyclic Compounds (One Hetero Atom)) The enamines I (R2 = Me, Ph) reacted with PhC(X)NCO(X = O, S) to give the amides II (n = 2, R = Me, R2 = Me, Ph), III, and the pyridinone IV. 4452-12-4 and 4461-33-0 are just another two chemicals used in this study. Reaction of the aminoaroylphenones V with BzNCO gave II (n = 2,3; R = H, R2 = Ph); with PhC(S)NCO V gave thiazinone VI and/or VII. .