|
【结 构 式】 
|
【分子编号】22381 【品名】5-(4-methylphenyl)-2-thiophenesulfonyl chloride 【CA登记号】 |
【 分 子 式 】C11H9ClO2S2 【 分 子 量 】272.77596 【元素组成】C 48.44% H 3.33% Cl 13% O 11.73% S 23.51% |
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)Suzuki coupling of 4-tolylboronic acid (I) with 2-bromothiophene (II) under palladium catalysis provided tolylthiophene (III). Subsequent chlorosulfonation of (III) with chlorosulfonic acid in the presence of PCl5 and POCl3 afforded sulfonyl chloride (IV), which was finally condensed with the aminoisoxazole (V) using NaH in THF to furnish the target sulfonamide.
| 【1】 Chan, M.F.; Kois, A.; Verner, E.J.; Raju, B.G.; Castillo, R.S.; Wu, C.; Okun, I.; Stavros, F.D.; Balaji, V.N.; The discovery and structure-activity relationships of nonpeptide, low molecular weight antagonists selective for the endothelin ETB receptor. Bioorg Med Chem 1998, 6, 12, 2301. |
| 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) | 15540 | 4-methylphenylboronic acid; p-Tolylboronic acid | 5720-05-8 | C7H9BO2 | 详情 | 详情 |
| (II) | 13681 | 2-Bromothiophene | 1003-09-4 | C4H3BrS | 详情 | 详情 |
| (III) | 22380 | 2-(4-methylphenyl)thiophene | C11H10S | 详情 | 详情 | |
| (IV) | 22381 | 5-(4-methylphenyl)-2-thiophenesulfonyl chloride | C11H9ClO2S2 | 详情 | 详情 | |
| (V) | 22382 | 4-bromo-3-methyl-5-isoxazolamine; 4-bromo-3-methyl-5-isoxazolylamine | C4H5BrN2O | 详情 | 详情 |
Extended Information