Crystal and molecular structure of 3,5-dimethyl-1H-pyrazolide of 3-o-acetyl ursolic acid

Crystal and molecular structure of 3,5-dimethyl-1H-pyrazolide of 3-o-acetyl ursolic acid Full article

Journal

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Output data

Year: 2011, Volume: 52, Number: 3, Pages: 582-588 Pages count : 7 DOI: 10.1134/S0022476611030206

Tags

Crystal structure; Pyrazolides; Ursolic acid

Authors

Popov S.A. ¹ , Glinskaya L.A. ² , Kokina T.E. ² , Klevtsova R.F. ² , Shpatov A.V. ¹

Affiliations

1	N. N. Vorozhtsov Institute of Organic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk, Russian Federation
2	A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk, Russian Federation

3,5-Dimethyl-1H-pyrazolide of 3-O-acetyl ursolic acid (II) is obtained in the course of the interaction of 3-O-acetyl ursolic acid acyl chloride (I) and 3,5-dimethyl-1H-pyrazole. The crystal structure of compound II is determined from the single crystal XRD data (150 K, Bruker X8 Apex CCD autodiffractometer, MoKa radiation). The crystals are rhombic, the unit cell parameters are as follows: a = 10.6034(2) Å, b = 12.4096(2) Å, c = 24.5972(5) Å, P212121 space group. The structure consists of discrete acentric molecules. When pyrazolide II is boiled in the alcohol alkali solution, secondary hydroxyl is deacetylated and 3,5-dimethyl-1H-pyrazolide of ursolic acid IV is formed. Compounds II and IV are studied by NMR spectroscopy. Copyright © 2011 by S. A. Popov, L. A. Glinskaya, T. E. Kokina, R. F. Klevtsova, and A. V. Shpatov.

Popov S.A. , Glinskaya L.A. , Kokina T.E. , Klevtsova R.F. , Shpatov A.V.
Crystal and molecular structure of 3,5-dimethyl-1H-pyrazolide of 3-o-acetyl ursolic acid
Journal of Structural Chemistry. 2011. V.52. N3. P.582-588. DOI: 10.1134/S0022476611030206 WOS Scopus РИНЦ

Попов С.А. , Глинская Л.А. , Кокина Т.Е. , Клевцова Р.Ф. , Шпатов А.В.
КРИСТАЛЛИЧЕСКАЯ И МОЛЕКУЛЯРНАЯ СТРУКТУРА 3,5-ДИМЕТИЛ-1H-ПИРАЗОЛИДА 3-O-АЦЕТИЛУРСОЛОВОЙ КИСЛОТЫ
Журнал структурной химии (J STRUCT CHEM+). 2011. Т.52. №3. С.599-604. РИНЦ

Published print:	Jun 1, 2011
Published online:	Jul 29, 2011

Web of science	WOS:000294860200020
Scopus	2-s2.0-80054719541
Elibrary	18009660
OpenAlex	W2132654330