2-[(3-chlorophenethyl)(methyl)amino]-1-ethanol -Drug Synthesis Database

【结构式】

【分子编号】44045

【品名】2-[(3-chlorophenethyl)(methyl)amino]-1-ethanol

【CA登记号】

【分子式】C₁₁H₁₆ClNO

【分子量】213.70688

【元素组成】C 61.82% H 7.55% Cl 16.59% N 6.55% O 7.49%

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)

The condensation of labeled 2-(3-chlorphenyl)acetic acid (I) with N-methylethanolamine (II) by means of SOCl2 gives the corresponding amide (III), which is reduced with BH3, yielding the tertiary amine (IV). The reaction of (IV) with PCl3 affords the chloroethylamine (V), which is finally cyclized by means of AlCl3 to provide the target benzazepine.

参考文献中间体

合成目标

【1】 Hieble, J.P.; Wilson III, J.W.; Weinstock, J.; The chemistry and pharmacology of 3-benzazepines derivatives. Drugs Fut 1985, 10, 8, 645.

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)	39705	2-(3-chlorophenyl)acetic acid; 3-chlorophenylacetic acid	1878-65-5	C₈H₇ClO₂	详情	详情
(I)	44628	2-(3-chlorophenyl)acetic acid		C₈H₇ClO₂	详情	详情
(II)	13324	2-Methylaminoethanol; 2-(Methylamino)-1-ethanol	109-83-1	C₃H₉NO	详情	详情
(III)	44044	2-(3-chlorophenyl)-N-(2-hydroxyethyl)-N-methylacetamide		C₁₁H₁₄ClNO₂	详情	详情
(III)	44629	2-(3-chlorophenyl)-N-(2-hydroxyethyl)-N-methylacetamide		C₁₁H₁₄ClNO₂	详情	详情
(IV)	44045	2-[(3-chlorophenethyl)(methyl)amino]-1-ethanol		C₁₁H₁₆ClNO	详情	详情
(IV)	44630	2-[(3-chlorophenethyl)(methyl)amino]-1-ethanol		C₁₁H₁₆ClNO	详情	详情
(V)	44046	2-chloro-N-(3-chlorophenethyl)-N-methyl-1-ethanamine; N-(2-chloroethyl)-N-(3-chlorophenethyl)-N-methylamine		C₁₁H₁₅Cl₂N	详情	详情
(V)	44631	2-chloro-N-(3-chlorophenethyl)-N-methyl-1-ethanamine; N-(2-chloroethyl)-N-(3-chlorophenethyl)-N-methylamine		C₁₁H₁₅Cl₂N	详情	详情

Extended Information