butyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[4-methoxy-2-[(2S)-2-methyl-3-oxopropyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate -Drug Synthesis Database

【结构式】

【分子编号】27576

【品名】butyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[4-methoxy-2-[(2S)-2-methyl-3-oxopropyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate

【CA登记号】

【分子式】C₃₅H₄₁NO₆

【分子量】571.71368

【元素组成】C 73.53% H 7.23% N 2.45% O 16.79%

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：(XXX)

Oxidation of the side-chain hydroxyl group of (XXIX) to the carboxylic acid (XXXI) was effected in a two-step procedure involving SO3-pyridine complex oxidation to aldehyde (XXX), followed by oxidation to carboxylic acid (XXXI) with sodium chlorite. Finally, basic hydrolysis of the butyl ester of (XXXI) provided the target compound.

参考文献中间体

合成目标

【1】 Frey, L.F.; Devine, P.N.; Tschaen, D.M.; Dolling, U.H.; Tillyer, R.D.; Kato, Y. (Banyu Pharmaceutical Co., Ltd.; Merck & Co., Inc.); Stereoselective deoxygenation reaction. EP 0923557; JP 1999514676; WO 9806700 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(XXIX)	27575	butyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-3-hydroxy-2-methylpropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate	C₃₅H₄₃NO₆	详情	详情
(XXX)	27576	butyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[4-methoxy-2-[(2S)-2-methyl-3-oxopropyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate	C₃₅H₄₁NO₆	详情	详情
(XXXI)	27577	(2S)-3-[2-[(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-6-(butoxycarbonyl)-2-butyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-5-methoxyphenyl]-2-methylpropionic acid	C₃₅H₄₁NO₇	详情	详情

Extended Information