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【结 构 式】 
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【分子编号】63343 【品名】N-(2-fluoro-4-iodophenyl)methanesulfonamide 【CA登记号】 |
【 分 子 式 】C7H7FINO2S 【 分 子 量 】315.1069932 【元素组成】C 26.68% H 2.24% F 6.03% I 40.27% N 4.45% O 10.15% S 10.18% |
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：(II)Acylation of 2-fluoro-4-iodoaniline (I) with methanesulfonyl chloride affords the corresponding sulfonamide (II). Subsequent iodide displacement in (II) with zinc cyanide in the presence of palladium catalyst furnishes benzonitrile (III), which is further reduced to the benzylic amine (IV) by catalytic hydrogenation over Pd/C. Treatment of 4-(tert-butyl)benzylamine (V) with di-2-pyridyl thionocarbonate leads to the isothiocyanate (VI). This is finally condensed with amine (IV) to provide the target N,N'-dibenzyl thiourea derivative.
| 【1】 Lee, J.W.; Kim, J.K.; Choi, J.K.; Lee, Y.S.; Park, H.G.; Kim, S.Y.; Kim, H.D.; Park, Y.H.; Suh, Y.G.; Joo, Y.H.; Lim, K.M.; Moh, J.H.; Jeong, Y.S.; Yi, J.B.; Oh, U.T.; Park, O.H.; Koh, H.J.; Oh, Y.M. (AmorePacific Corp.); Novel thiourea derivs. and the pharmaceutical compsns. containing the same. EP 1303483; EP 1311478; US 2003212140; WO 0216318; WO 0216319 . |
| 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) | 63342 | 2-fluoro-4-iodoaniline; 2-fluoro-4-iodophenylamine | 29632-74-4 | C6H5FIN | 详情 | 详情 |
| (II) | 63343 | N-(2-fluoro-4-iodophenyl)methanesulfonamide | C7H7FINO2S | 详情 | 详情 | |
| (III) | 63344 | N-(4-cyano-2-fluorophenyl)methanesulfonamide | C8H7FN2O2S | 详情 | 详情 | |
| (IV) | 63345 | N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide | C8H11FN2O2S | 详情 | 详情 | |
| (V) | 47899 | 4-(tert-butyl)benzylamine; [4-(tert-butyl)phenyl]methanamine | 39895-55-1 | C11H17N | 详情 | 详情 |
| (VI) | 63346 | 1-(1,1-dimethylethyl)-4-(isothiocyanatomethyl)benzene; [4-(1,1-dimethylethyl)phenyl]methyl isothiocyanate | C12H15NS | 详情 | 详情 |
Extended Information