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【结 构 式】 
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【分子编号】62462 【品名】isopropyl (2S,3S)-3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate 【CA登记号】 |
【 分 子 式 】C19H23NO4S 【 分 子 量 】361.46196 【元素组成】C 63.13% H 6.41% N 3.88% O 17.71% S 8.87% |
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：(XLVI)The key cis glycidate ester (XLIII) was prepared by (salen)Mn(III)-catalyzed asymmetric epoxidation of the cis cinnamate (XXXIX). Epoxide opening in (XLIII) with 2-nitrothiophenol (XLIV), with inversion of the configuration, led to the nitro ester adduct (XLV). The nitro group of (XLV) was then reduced to the aniline derivative (XLVI) by means of FeSO4. Subsequent isopropyl ester group saponification in (XLVI) furnished amino acid (XXIX). This was then cyclized to the target thiazepinone (VIII) in refluxing xylene
| 【1】 Jacobsen, E.N.; Deng, L.; Furukawa, Y.; Martinez, L.E.; Enantioselective catalytic epoxidation of cinnamate esters. Tetrahedron 1994, 50, 15, 4323. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 62502 | 4-Picoline N-oxide; 4-Methyl-1-pyridiniumolate | 1003-67-4 | C6H7NO | 详情 | 详情 | |
| (VIII) | 62436 | (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one | C16H15NO3S | 详情 | 详情 | |
| (XXIX) | 62448 | (2S,3S)-3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid | C16H17NO4S | 详情 | 详情 | |
| (XXXIX) | 62458 | isopropyl (Z)-3-(4-methoxyphenyl)-2-propenoate | C13H16O3 | 详情 | 详情 | |
| (XLIII) | 62459 | isopropyl (2R,3R)-3-(4-methoxyphenyl)-2-oxiranecarboxylate | C13H16O4 | 详情 | 详情 | |
| (XLIV) | 62460 | 2-nitrobenzenethiol; 2-nitrophenylhydrosulfide | C6H5NO2S | 详情 | 详情 | |
| (XLV) | 62461 | isopropyl (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-[(2-nitrophenyl)sulfanyl]propanoate | C19H21NO6S | 详情 | 详情 | |
| (XLVI) | 62462 | isopropyl (2S,3S)-3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate | C19H23NO4S | 详情 | 详情 |
Extended Information