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【结 构 式】 
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【分子编号】51634 【品名】methyl 3-(3-[(1S)-1-[(tert-butoxycarbonyl)amino]-3-methylbutyl]-5-isoxazolyl)propanoate 【CA登记号】 |
【 分 子 式 】C17H28N2O5 【 分 子 量 】340.4198 【元素组成】C 59.98% H 8.29% N 8.23% O 23.5% |
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)The isoxazolepropionate intermediate (IV) has been obtained as follows: The cyclization of N-(tert-butoxycarbonyl)-L-leucinal oxime (I) with 4-pentynoic acid methyl ester (II) by means of NaOCl and TEA in dichloromethane gives the protected isoxazole derivative (III), which is then treated with Cl in dioxane to afford the desired isoxazole intermediate (IV).
| 【1】 Duplantier, A.J.; et al.; Isoxazolyl, oxazolyl, and thiazolylpropionic acid derivatives as potent alpha4beta1 integrin antagonists. Bioorg Med Chem Lett 2001, 11, 19, 2593. |
| 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) | 51632 | tert-butyl (1S)-1-[(hydroxyimino)methyl]-3-methylbutylcarbamate | C11H22N2O3 | 详情 | 详情 | |
| (II) | 51633 | methyl 4-pentynoate | C6H8O2 | 详情 | 详情 | |
| (III) | 51634 | methyl 3-(3-[(1S)-1-[(tert-butoxycarbonyl)amino]-3-methylbutyl]-5-isoxazolyl)propanoate | C17H28N2O5 | 详情 | 详情 | |
| (IV) | 51635 | methyl 3-[3-[(1S)-1-amino-3-methylbutyl]-5-isoxazolyl]propanoate | C12H20N2O3 | 详情 | 详情 |
Extended Information