2-(3,4,5-trimethoxyphenyl)acetonitrile -Drug Synthesis Database

【结构式】

【分子编号】29983

【品名】2-(3,4,5-trimethoxyphenyl)acetonitrile

【CA登记号】13338-63-1

【分子式】C₁₁H₁₃NO₃

【分子量】207.22916

【元素组成】C 63.76% H 6.32% N 6.76% O 23.16%

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：(III)

Gallopamil is obtained by condensing 2-(3,4,5-trimethoxypheny)-3-methylbutyronitrile (I) with N-(3-chloropropyl)-N-(2-(3,4-dimethoxyphenyl)ethyl]-N-methylamine (II) in the presence of bases. Compound (I) can be prepared by reaction of 3,4,5-trimethoxyphenylacetonitrile (III) with isopropyl chloride (IV) by means of NaNH2. Compound (II) is formed from 1-bromo-3-chloropropane (V) and N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylamine (VI).

参考文献中间体

合成目标

【1】 Dengel, F. (Knoll AG); Verfahren zur herstellung basisch substituerter phenylacetonitrile. DE 1154810; DE 1158083 .
【2】 Mannhold, R.; Gallopamil Hydrochloride. Drugs Fut 1984, 9, 2, 108.

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)	29985	3-methyl-2-(3,4,5-trimethoxyphenyl)butanenitrile		C₁₄H₁₉NO₃	详情	详情
(II)	29986	3-chloro-N-(3,4-dimethoxyphenethyl)-N-methyl-1-propanamine; N-(3-chloropropyl)-N-(3,4-dimethoxyphenethyl)-N-methylamine		C₁₄H₂₂ClNO₂	详情	详情
(III)	29983	2-(3,4,5-trimethoxyphenyl)acetonitrile	13338-63-1	C₁₁H₁₃NO₃	详情	详情
(IV)	29984	2-chloropropane	75-29-6	C₃H₇Cl	详情	详情
(V)	10358	1-Bromo-3-chloropropane	109-70-6	C₃H₆BrCl	详情	详情
(VI)	18938	2-(3,4-dimethoxyphenyl)-N-methyl-1-ethanamine; N-(3,4-dimethoxyphenethyl)-N-methylamine	3490-06-0	C₁₁H₁₇NO₂	详情	详情

Extended Information