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【结 构 式】 
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【分子编号】22375 【品名】4-bromo-N-(3-methyl-5-isoxazolyl)benzenesulfonamide 【CA登记号】 |
【 分 子 式 】C10H9BrN2O3S 【 分 子 量 】317.16314 【元素组成】C 37.87% H 2.86% Br 25.19% N 8.83% O 15.13% S 10.11% |
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：(III)4-Bromobenzenesulfonyl chloride (I) was condensed with aminoisoxazole (II) in pyridine to afford sulfonamide (III). Subsequent Suzuki coupling of (III) to 4-tolylboronic acid (IV) under palladium catalysis provided biphenylsulfonamide (V), which was finally brominated with N-bromosuccinimide in cold CH2Cl2 to furnish the target bromoisoxazole.
| 【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) | 18964 | 4-bromobenzenesulfonyl chloride | 98-58-8 | C6H4BrClO2S | 详情 | 详情 |
| (II) | 17834 | 3-methyl-5-isoxazolylamine; 3-methyl-5-isoxazolamine; 5-Amino-3-methylisoxazole | 14678-02-5 | C4H6N2O | 详情 | 详情 |
| (III) | 22375 | 4-bromo-N-(3-methyl-5-isoxazolyl)benzenesulfonamide | C10H9BrN2O3S | 详情 | 详情 | |
| (IV) | 15540 | 4-methylphenylboronic acid; p-Tolylboronic acid | 5720-05-8 | C7H9BO2 | 详情 | 详情 |
| (V) | 22377 | 4'-methyl-N-(3-methyl-5-isoxazolyl)[1,1'-biphenyl]-4-sulfonamide | C17H16N2O3S | 详情 | 详情 |
Extended Information