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【结 构 式】 
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【分子编号】48100 【品名】ethyl (E)-2-(5-chloro-2-thienyl)-1-ethenesulfonate 【CA登记号】 |
【 分 子 式 】C8H9ClO3S2 【 分 子 量 】252.74236 【元素组成】C 38.02% H 3.59% Cl 14.03% O 18.99% S 25.37% |
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 lithium anion of ethyl methanesulfonate (I) was condensed with ethyl chlorophosphonate to produce the phosphonate (II), which was subsequently subjected to a Wittig reaction with 5-chlorotiophene-2-carboxaldehyde (III), yielding olefin (IV). After cleavage of the ethyl sulfonate of (IV) by means of tetrabutylammonium iodide, treatment with sulfuryl chloride afforded the intermediate sulfonyl chloride (V).
| 【2】 Myers, M.R.; Becker, M.R.; Ewing, W.R.; Spada, A.P. (Aventis Pharmaceuticals, Inc.); Substd. oxoazaheterocyclyl factor Xa inhibitors. WO 0032590; WO 0107436 . |
| 【1】 Hanney, B.A.; He, W.; Poli, G.B.; Spada, A.P.; Myers, M.R.; Burns, C.J.; Pauls, H.W.; Jiang, J.Z.; Condon, S.M.; Ewing, W.R.; Becker, M.R.; Li, A.; Choi-Sledeski, Y.M.; Lau, W.F.; Davis, R.S. (Aventis Pharmaceuticals, Inc.); Substd. oxoazaheterocyclyl factor Xa inhibitors. EP 1051176; WO 9937304 . |
| 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) | 48097 | ethyl methanesulfonate；ethylmesylate;ethyl methanesulphonate；O-ethylmethylsulfonate | 62-50-0 | C3H8O3S | 详情 | 详情 |
| (II) | 48098 | ethyl (diethoxyphosphoryl)methanesulfonate | C7H17O6PS | 详情 | 详情 | |
| (III) | 48099 | 5-chloro-2-thiophenecarbaldehyde | 7283-96-7 | C5H3ClOS | 详情 | 详情 |
| (IV) | 48100 | ethyl (E)-2-(5-chloro-2-thienyl)-1-ethenesulfonate | C8H9ClO3S2 | 详情 | 详情 | |
| (V) | 48101 | (E)-2-(5-chloro-2-thienyl)-1-ethenesulfonyl chloride | C6H4Cl2O2S2 | 详情 | 详情 |
Extended Information