butyl 2-[(5R)-3-(4-cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetate -Drug Synthesis Database

【结构式】

【分子编号】33756

【品名】butyl 2-[(5R)-3-(4-cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetate

【CA登记号】

【分子式】C₁₆H₁₈N₂O₃

【分子量】286.3306

【元素组成】C 67.12% H 6.34% N 9.78% O 16.76%

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：(XIIb),(XIII)

In a further procedure, lipase-mediated hydrolysis of the racemic n-butyl ester (XII) provided the required (R)-acid (XI) along with unreacted (S)-ester (XIII), which was recycled through racemization using potassium tert-butoxide.

参考文献中间体

合成目标

【1】 Wityak, J.; Sielecki, T.M.; Xue, C.-B.; et al.; Discovery of an orally active series of isoxazoline glycoprotein IIb/IIIa antagonists. J Med Chem 1997, 40, 13, 2064-84.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(XIIa)	33755	butyl 2-[(5S)-3-(4-cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetate	C₁₆H₁₈N₂O₃	详情	详情
(XIIb),(XIII)	33756	butyl 2-[(5R)-3-(4-cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetate	C₁₆H₁₈N₂O₃	详情	详情
(XI)	33754	2-[(5S)-3-(4-cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetic acid	C₁₂H₁₀N₂O₃	详情	详情

Extended Information