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【结 构 式】

【分子编号】47291

【品名】N-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]acetamide

【CA登记号】

【 分 子 式 】C10H13ClN2O2

【 分 子 量 】228.6782

【元素组成】C 52.52% H 5.73% Cl 15.5% N 12.25% O 13.99%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(XI)

In an alternative procedure, 3-chloroaniline (I) was acylated with chloroacetyl chloride (V) to produce chloroacetamide (IX). Displacement of the chloride group of (IX) with ethanolamine (X) gave rise to the amide alcohol (XI), which was then cyclized to the piperazinone (VIII) under Mitsunobu conditions.

1 Cowen, J.A.; Askin, D.; McWilliams, J.C.; Maligres, P.E.; McCauley, J.A. (Merck & Co., Inc.); Process for making farnesyl-protein transferase inhibitors. WO 0001691 .
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) 25239 3-chloroaniline; 3-chlorophenylamine 108-42-9 C6H6ClN 详情 详情
(V) 11296 2-Chloroacetyl chloride; Chloroacetic chloride 79-04-9 C2H2Cl2O 详情 详情
(VIII) 47289 1-(3-chlorophenyl)-2-piperazinone C10H11ClN2O 详情 详情
(IX) 47290 2-chloro-N-(3-chlorophenyl)acetamide C8H7Cl2NO 详情 详情
(X) 10259 Ethanol amine;Ethanolamine;2-Aminoethanol; 2-Amino-1-ethanol;2-Aminoethyl alcohol 141-43-5 C2H7NO 详情 详情
(XI) 47291 N-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]acetamide C10H13ClN2O2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(V)

3-Chloroaniline (I) was acylated with chloroacetyl chloride (II) in isopropyl acetate. The resulting chloroacetanilide (III) was condensed with ethanolamine (IV) to yield the (hydroxyethyl)glycinamide (V). Cyclization of (V) to produce the piperazinone (VI) was then effected by treatment with di-tert-butyl azodicarboxylate and tributylphosphine.

1 Williams, T.M. (Merck & Co., Inc.); Biaryl inhibitors of prenyl-protein transferase. WO 0075135 .
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) 25239 3-chloroaniline; 3-chlorophenylamine 108-42-9 C6H6ClN 详情 详情
(II) 11296 2-Chloroacetyl chloride; Chloroacetic chloride 79-04-9 C2H2Cl2O 详情 详情
(III) 47290 2-chloro-N-(3-chlorophenyl)acetamide C8H7Cl2NO 详情 详情
(IV) 10259 Ethanol amine;Ethanolamine;2-Aminoethanol; 2-Amino-1-ethanol;2-Aminoethyl alcohol 141-43-5 C2H7NO 详情 详情
(V) 47291 N-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]acetamide C10H13ClN2O2 详情 详情
(VI) 47289 1-(3-chlorophenyl)-2-piperazinone C10H11ClN2O 详情 详情
Extended Information