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【结 构 式】 
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【分子编号】30416 【品名】tert-butyl 2-(1-azepanyl)-2-oxoethylcarbamate 【CA登记号】 |
【 分 子 式 】C13H24N2O3 【 分 子 量 】256.34524 【元素组成】C 60.91% H 9.44% N 10.93% O 18.72% |
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)Hexahydroazepine (I) was coupled with N-Boc-glycine (II) by means of EDC and HOBt, and the resulting amide (III) was reduced with LiAlH4 to give diamine (IV). Subsequent coupling of (IV) with 3,4-dichlorophenylacetic acid (V) in the presence of DCC afforded amide (VI). Finally, reduction of (VI) with aluminum hydride in THF provided the title compound.
| 【1】 de Costa, B.R.; et al.; Synthesis, characterization, and biological evaluation of a novel class of N-(arylethyl)-N-alkyl-2-(1-pyrrolidinyl)ethylamines: Structural requirements and binding affinity at the sigma receptor. J Med Chem 1992, 35, 1, 38. |
| 【2】 De Costa, B.R.; Radesca, L.; Bowen, W.; Long, J.; Walker, J.M.; Rice, K.C.; Gray, N.M.; Contreras, P.C. (Pharmacia Corp.); N-(Arylethyl)-N-alkyl-2-(1-pyrrolidinyl)ethylamine derivs. for CNS disorders. EP 0518216; WO 9222279 . |
| 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) | 18672 | azepane | 111-49-9 | C6H13N | 详情 | 详情 |
| (II) | 18066 | N-alpha-t-BOC-glycine; 2-[(tert-butoxycarbonyl)amino]acetic acid | 4530-20-5 | C7H13NO4 | 详情 | 详情 |
| (III) | 30416 | tert-butyl 2-(1-azepanyl)-2-oxoethylcarbamate | C13H24N2O3 | 详情 | 详情 | |
| (IV) | 30417 | N-[2-(1-azepanyl)ethyl]-N-methylamine; 2-(1-azepanyl)-N-methyl-1-ethanamine | C9H20N2 | 详情 | 详情 | |
| (V) | 30414 | 2-(3,4-dichlorophenyl)acetic acid；2-(3,4-Dichlorophenyl)acetic acid | 5807-30-7 | C8H6Cl2O2 | 详情 | 详情 |
| (VI) | 30418 | N-[2-(1-azepanyl)ethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide | C17H24Cl2N2O | 详情 | 详情 |
Extended Information