methyl 3',4'-dimethoxy[1,1'-biphenyl]-4-carboxylate -Drug Synthesis Database

【结构式】

【分子编号】38454

【品名】methyl 3',4'-dimethoxy[1,1'-biphenyl]-4-carboxylate

【CA登记号】

【分子式】C₁₆H₁₆O₄

【分子量】272.30064

【元素组成】C 70.57% H 5.92% O 23.5%

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：(IV)

Organozinc reagent (II), prepared from 4-bromo-1,2-dimethoxybenzene (I), was coupled with methyl iodobenzoate (III) in the presence of bis(triphenylphosphine) palladium dichloride and diisobutylaluminum hydride to furnish biphenyl derivative (IV). After saponification of the methyl ester group of (IV), treatment with thionyl chloride yielded acid chloride (V).

参考文献中间体

合成目标

【1】 Gong, Y.; Guertin, K.R.; McGarry, D.G.; Pauls, H.W.; Klein, S.I.; Spada, A.P. (Aventis Pharmaceuticals, Inc.); Substd. N-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides. CA 2264556; EP 0931060; WO 9900356 .

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)	38452	4-bromo-1,2-dimethoxybenzene; 4-bromo-2-methoxyphenyl methyl ether	2859-78-1	C₈H₉BrO₂	详情	详情
(II)	38453	chloro(3,4-dimethoxyphenyl)zinc		C₈H₉ClO₂Zn	详情	详情
(III)	16123	methyl 4-iodobenzoate	619-44-3	C₈H₇IO₂	详情	详情
(IV)	38454	methyl 3',4'-dimethoxy[1,1'-biphenyl]-4-carboxylate		C₁₆H₁₆O₄	详情	详情
(V)	38455	3',4'-dimethoxy[1,1'-biphenyl]-4-carbonyl chloride		C₁₅H₁₃ClO₃	详情	详情

Extended Information