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【结 构 式】 
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【分子编号】64730 【品名】2-[8-(2-{[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2-methylpropanoyl]amino}-4-phenylbutanoyl)-8-azabicyclo[3.2.1]oct-3-yl]benzoic acid 【CA登记号】 |
【 分 子 式 】C33H43N3O6 【 分 子 量 】577.72104 【元素组成】C 68.61% H 7.5% N 7.27% O 16.62% |
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：(XV)Coupling of the amine (XII) with N-Boc-2-aminoisobutyric acid (XIII) leads to the dipeptide amide (XIV). Alkaline hydrolysis of the ethyl ester group of (XIV) gives the benzoic acid (XV), which is then coupled to ethylamine to produce the amide (XVI). Finally, the N-Boc protecting group of (XVI) is cleaved by means of HCl in dioxane to furnish the target compound.
| 【1】 Lu, Z.; Tata, J.R.; Cheng, K.; Wei, L.; Chan, W.W.-S.; Butler, B.; Schleim, K.D.; Jacks, T.M.; Hickey, G.; Patchett, A.A.; Substituted bridged phenyl piperidines: Orally active growth hormone secretagogues. Bioorg Med Chem Lett 2003, 13, 10, 1817. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XII) | 64728 | ethyl 2-[8-(2-amino-4-phenylbutanoyl)-8-azabicyclo[3.2.1]oct-3-yl]benzoate | C26H32N2O3 | 详情 | 详情 | |
| (XIII) | 18471 | N-(tert-butoxycarbonyl)-2-methylalanine | 30992-29-1 | C9H17NO4 | 详情 | 详情 |
| (XIV) | 64729 | ethyl 2-[8-(2-{[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2-methylpropanoyl]amino}-4-phenylbutanoyl)-8-azabicyclo[3.2.1]oct-3-yl]benzoate | C35H47N3O6 | 详情 | 详情 | |
| (XV) | 64730 | 2-[8-(2-{[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2-methylpropanoyl]amino}-4-phenylbutanoyl)-8-azabicyclo[3.2.1]oct-3-yl]benzoic acid | C33H43N3O6 | 详情 | 详情 | |
| (XVI) | 64731 | 1,1-dimethylethyl 2-({1-[(3-{2-[(ethylamino)carbonyl]phenyl}-8-azabicyclo[3.2.1]oct-8-yl)carbonyl]-3-phenylpropyl}amino)-1,1-dimethyl-2-oxoethylcarbamate | C35H48N4O5 | 详情 | 详情 |
Extended Information