3-methoxy-4-(1-pyrrolidinylmethyl)benzoic acid -Drug Synthesis Database

【结构式】

【分子编号】31413

【品名】3-methoxy-4-(1-pyrrolidinylmethyl)benzoic acid

【CA登记号】

【分子式】C₁₃H₁₇NO₃

【分子量】235.28292

【元素组成】C 66.36% H 7.28% N 5.95% O 20.4%

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)

Radical bromination of methyl 3-methoxy-4-methylbenzoate (I) using N-bromosuccinimide and azobisisobutyronitrile gave benzyl bromide (II), which was treated with pyrrolidine to afford the tertiary amine (III). Hydrolysis of the methyl ester group of (III) with LiOH provided carboxylic acid (IV), which was converted to acid chloride (V) upon treatment with SOCl2.

参考文献中间体

合成目标

【1】 Antithrombotic diamines. EP 0863755; US 6025382; WO 9725033 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(A)	11376	Pyrrolidine	123-75-1	C₄H₉N	详情	详情
(I)	11919	methyl 3-methoxy-4-methylbenzoate	3556-83-0	C₁₀H₁₂O₃	详情	详情
(II)	11920	methyl 4-(bromomethyl)-3-methoxybenzoate; 4-(Bromomethyl)-3-methoxy benzoic acid methyl ester		C₁₀H₁₁BrO₃	详情	详情
(III)	31412	methyl 3-methoxy-4-(1-pyrrolidinylmethyl)benzoate		C₁₄H₁₉NO₃	详情	详情
(IV)	31413	3-methoxy-4-(1-pyrrolidinylmethyl)benzoic acid		C₁₃H₁₇NO₃	详情	详情
(V)	31414	3-methoxy-4-(1-pyrrolidinylmethyl)benzoyl chloride		C₁₃H₁₆ClNO₂	详情	详情

Extended Information