(S)-(1-methyl-1H-pyrazol-5-yl)(phenyl)methyl acetate -Drug Synthesis Database

【结构式】

【分子编号】54589

【品名】(S)-(1-methyl-1H-pyrazol-5-yl)(phenyl)methyl acetate

【CA登记号】

【分子式】C₁₃H₁₄N₂O₂

【分子量】230.26644

【元素组成】C 67.81% H 6.13% N 12.17% O 13.9%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(S)-(-)-(III)

The transesterification of [(±)-I] with vinyl acetate enzymatically catalyzed (lipase) allowed the selective recovery of the enatiomer [(R)-(+)-I] and the hydrolysis and racemization of the undesired enantiomer [(S)-()-II] with hydrochloric acid.

参考文献中间体

合成目标

【1】 Farré, A.J.; Frigola, J.; Cizolirtine Citrate. Drugs Fut 2002, 27, 8, 721.
【2】 Frigola Constansa, J.; Cuberes Altisent, M.R.; Berrocal Romero, J.M.; Gotor Santamaria, V. (Laboratorios del Dr. Esteve, SA); Method for separating carbinols. ES 2128959; FR 2742147; US 5849931; WO 9720817 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(rac)-(I)	54583	(1-methyl-1H-pyrazol-5-yl)(phenyl)methanol; 5-(alpha-hydroxybenzyl)-1-methyl-1H-pyrazole	C₁₁H₁₂N₂O	详情	详情
(R)-(+)-(I)	54587	(R)-(1-methyl-1H-pyrazol-5-yl)(phenyl)methanol	C₁₁H₁₂N₂O	详情	详情
(S)-(-)-(III)	54589	(S)-(1-methyl-1H-pyrazol-5-yl)(phenyl)methyl acetate	C₁₃H₁₄N₂O₂	详情	详情

Extended Information