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【结 构 式】 
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【分子编号】41965 【品名】methyl (2S)-2-[[(1-benzyl-5-oxo-2-pyrrolidinyl)carbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate 【CA登记号】 |
【 分 子 式 】C29H27Cl2N3O5 【 分 子 量 】568.456 【元素组成】C 61.27% H 4.79% Cl 12.47% N 7.39% O 14.07% |
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：(VI)Coupling of N-benzylpyroglutamic acid (I) with 4-nitrophenylalanine methyl ester (II) by means of O-benzotriazolyl-N,N,N’,N’-tetramethyluronium hexafluorophosphate (HBTU) produced amide (III). After stannous chloride mediated reduction of the nitro group of (III), the resulting aniline (IV) was coupled with 2,6-dichlorobenzoic acid (V) to give diamide (VI). The title carboxylic acid was then obtained by ester hydrolysis with NaOH.
| 【1】 Guthrie, R.W.; Chen, L.; Tilley, J.W.; et al.; N-Benzylpyroglutamyl-L-phenylanine derivatives as VCAM/VLA-4 antagonists. Bioorg Med Chem Lett 2000, 10, 8, 729. |
| 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) | 41961 | 1-benzyl-5-oxoproline | C12H13NO3 | 详情 | 详情 | |
| (II) | 15342 | methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate | C10H12N2O4 | 详情 | 详情 | |
| (III) | 41962 | methyl (2S)-2-[[(1-benzyl-5-oxo-2-pyrrolidinyl)carbonyl]amino]-3-(4-nitrophenyl)propanoate | C22H23N3O6 | 详情 | 详情 | |
| (IV) | 41963 | methyl (2S)-3-(4-aminophenyl)-2-[[(1-benzyl-5-oxo-2-pyrrolidinyl)carbonyl]amino]propanoate | C22H25N3O4 | 详情 | 详情 | |
| (V) | 41964 | 2,6-dichlorobenzoic acid | 50-30-6 | C7H4Cl2O2 | 详情 | 详情 |
| (VI) | 41965 | methyl (2S)-2-[[(1-benzyl-5-oxo-2-pyrrolidinyl)carbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate | C29H27Cl2N3O5 | 详情 | 详情 |
Extended Information