4-bromobutyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate -Drug Synthesis Database

【结构式】

【分子编号】48092

【品名】4-bromobutyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

【CA登记号】

【分子式】C₁₄H₁₇BrO₄

【分子量】329.19058

【元素组成】C 51.08% H 5.21% Br 24.27% O 19.44%

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：(II)

Ferulic acid (I) was converted to the 4-bromobutyl ester (II) upon treatment with carbon tetrabromide, triphenylphosphine and THF also as the solvent. Coupling of dihydroxycholanoic acid (III) with ferulic acid bromobutyl ester (II) using DCC in the presence of DMAP furnished diester (IV). Finally, displacement of the bromide group of (IV) with silver nitrate gave rise to the title nitrooxy derivative.

参考文献中间体

合成目标

【1】 Del Soldato, P. (NicOx SA); Pharmaceutical cpds.. WO 0061604 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	48091	(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid	1135-24-6	C₁₀H₁₀O₄	详情	详情
(II)	48092	4-bromobutyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate		C₁₄H₁₇BrO₄	详情	详情
(III)	48093	(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid	128-13-2	C₂₄H₄₀O₄	详情	详情
(IV)	48094	4-bromobutyl (E)-3-[4-([(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy)-3-methoxyphenyl]-2-propenoate		C₃₈H₅₅BrO₇	详情	详情

Extended Information