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【结 构 式】 
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【分子编号】60843 【品名】methyl (2S)-2-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]-2-methylpyrrolidinyl}carbonyl)amino]-3-phenylpropanoate 【CA登记号】 |
【 分 子 式 】C22H24Cl2N2O5S 【 分 子 量 】499.41444 【元素组成】C 52.91% H 4.84% Cl 14.2% N 5.61% O 16.02% S 6.42% |
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：(IV)In an alternative method, L-phenylalanine (I) is esterified employing SOCl2 in MeOH. The resultant phenylalanine methyl ester (II) is then acylated with the sulfonyl proline derivative (III) by means of PyBOP to furnish the sulfonyl dipeptide (IV). Finally, saponification of the methyl ester group of (IV) with LiOH leads to the title compound
| 【1】 Kopka, I.E.; Young, D.N.; Lin, L.S.; et al.; Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Bioorg Med Chem Lett 2002, 12, 4, 637. |
| 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) | 13952 | (S)-(-)-Phenylalanine; L-Phenylalanine | 63-91-2 | C9H11NO2 | 详情 | 详情 |
| (II) | 12324 | methyl (2R)-2-amino-3-phenylpropanoate | 21685-51-8 | C10H13NO2 | 详情 | 详情 |
| (III) | 60842 | (2S)-1-[(3,5-dichlorophenyl)sulfonyl]-2-methyl-2-pyrrolidinecarboxylic acid | C12H13Cl2NO4S | 详情 | 详情 | |
| (IV) | 60843 | methyl (2S)-2-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]-2-methylpyrrolidinyl}carbonyl)amino]-3-phenylpropanoate | C22H24Cl2N2O5S | 详情 | 详情 |
Extended Information