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【结 构 式】

【分子编号】44046

【品名】2-chloro-N-(3-chlorophenethyl)-N-methyl-1-ethanamine; N-(2-chloroethyl)-N-(3-chlorophenethyl)-N-methylamine

【CA登记号】

【 分 子 式 】C11H15Cl2N

【 分 子 量 】232.15224

【元素组成】C 56.91% H 6.51% Cl 30.54% N 6.03%

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:(V)

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.

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