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【结 构 式】 
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【分子编号】44416 【品名】methyl 1-oxo-2-(3-pyridinyl)hexahydro-1lambda(4)-thiopyran-2-carbodithioate 【CA登记号】 |
【 分 子 式 】C12H15NOS3 【 分 子 量 】285.45524 【元素组成】C 50.49% H 5.3% N 4.91% O 5.6% S 33.7% |
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)The cyclization of 3-(4-chlorobutylsulfanylmethyl)pyridine (I) by means of n-BuLi in THF/HMPT gives 3-(tetrahydrothiopyran-2-yl)pyridine (II), which is treated with CS2, CH3I and KOtBu in the same solvent to yield the methyl carbodithioate (IV). The controlled oxidation of (IV) with MCPBA in dichloromethane affords the sulfoxide (IV), which is treated with methylamine in ethanol to provide a mixture of two racemic diastereomers that are separated by chromatography; however, the authors do not indicate the configuration of both racemates.
| 【1】 Aloup, J.-C.; Bouchaudon, J.; Farge, D.; James, C. (Aventis SA); Novel thioformamide derivs., their preparation and medicines containing them. EP 0097584 . |
| 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) | 44409 | 4-chlorobutyl 3-pyridinylmethyl sulfide; 3-[[(4-chlorobutyl)sulfanyl]methyl]pyridine | C10H14ClNS | 详情 | 详情 | |
| (II) | 44414 | 3-tetrahydro-2H-thiopyran-2-ylpyridine | C10H13NS | 详情 | 详情 | |
| (III) | 44415 | methyl 2-(3-pyridinyl)tetrahydro-2H-thiopyran-2-carbodithioate | C12H15NS3 | 详情 | 详情 | |
| (IV) | 44416 | methyl 1-oxo-2-(3-pyridinyl)hexahydro-1lambda(4)-thiopyran-2-carbodithioate | C12H15NOS3 | 详情 | 详情 |
Extended Information