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【结 构 式】 
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【分子编号】59533 【品名】sodium (2S)-2-{[(E)-3-methoxy-1-methyl-3-oxo-1-propenyl]amino}-3-methylbutanoate 【CA登记号】 |
【 分 子 式 】C10H16NNaO4 【 分 子 量 】237.231148 【元素组成】C 50.63% H 6.8% N 5.9% Na 9.69% O 26.98% |
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)In an alternative procedure, condensation of L-valine (IV) with methyl acetoacetate (V) in the presence of NaOH produced the enamine-protected valine sodium salt (VI). Condensation of (VI) with the tosylate (VII), (prepared from acyclovir (I) and tosyl chloride) afforded ester (VIII). Then, acidic hydrolysis of the enaminoester moiety of (VIII) furnished the target valine ester. Similar procedures were also reported using omega-mesyl and omega-chloro acyclovir.
| 【1】 Montoro, M.; Pirovano, S.; Process of preparation of valacyclovir and relevant intermediates. WO 9803553 . |
| 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) | 28279 | 2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one | 59277-89-3 | C8H11N5O3 | 详情 | 详情 |
| (IV) | 37828 | L-2-Amino-3-methylbutyric acid; L-2-Aminoisovaleric acid; 2-Aminoisovaleric acid; L-2-Amino-3-methylbutyric acid; L-alpha-Aminoisovaleric acid; L-valine; (S)-(+)-Valine; (S)-alpha-Aminoisovaleric acid | 72-18-4 | C5H11NO2 | 详情 | 详情 |
| (V) | 11791 | methyl 3-oxobutanoate; Methyl acetoacetate | 105-45-3 | C5H8O3 | 详情 | 详情 |
| (VI) | 59533 | sodium (2S)-2-{[(E)-3-methoxy-1-methyl-3-oxo-1-propenyl]amino}-3-methylbutanoate | C10H16NNaO4 | 详情 | 详情 | |
| (VII) | 59534 | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl 4-methylbenzenesulfonate | C15H17N5O5S | 详情 | 详情 | |
| (VIII) | 59535 | methyl (E)-3-{[(1S)-1-({2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethoxy}carbonyl)-2-methylpropyl]amino}-2-butenoate | C18H26N6O6 | 详情 | 详情 |
Extended Information