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【结 构 式】 
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【分子编号】44956 【品名】sodium 4-acetylbenzenesulfonate 【CA登记号】61827-67-6 |
【 分 子 式 】C8H7NaO4S 【 分 子 量 】222.196948 【元素组成】C 43.24% H 3.18% Na 10.35% O 28.8% S 14.43% |
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)In an alternative procedure, sodium 4-acetylbenzenesulfonate (IV) was refluxed with POCl3 and subsequently treated with dibenzylamine to afford sulfonamide (V). Bromination of (V) in chloroform yielded the bromo ketone (VI), which was hydrolyzed to phenacyl alcohol (VII) by treatment with ethanolic betaine, followed by aqueous NaHCO3. Addition of 4-fluorophenyl isocyanate (VIII) to (VII) and then cyclization in refluxing HOAc yielded the oxazolone (IX). Final debenzylation was achieved with concentrated H2SO4 to give the target sulfonamide.
| 【1】 Godessart, N.; Crespo, M.I.; Puig, C.; et al.; Synthesis and biological evaluation of 3,4-diaryloxazolones: A new class of orally active cyclooxygenase-2 inhibitors. J Med Chem 2000, 43, 2, 214. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 44956 | sodium 4-acetylbenzenesulfonate | 61827-67-6 | C8H7NaO4S | 详情 | 详情 |
| (V) | 44957 | 4-acetyl-N,N-dibenzylbenzenesulfonamide | C22H21NO3S | 详情 | 详情 | |
| (VI) | 44958 | N,N-dibenzyl-4-(2-bromoacetyl)benzenesulfonamide | C22H20BrNO3S | 详情 | 详情 | |
| (VII) | 44959 | N,N-dibenzyl-4-glycoloylbenzenesulfonamide | C22H21NO4S | 详情 | 详情 | |
| (VIII) | 17977 | 1-Fluoro-4-isocyanatobenzene; 4-Fluorophenyl isocyanate | 1195-45-5 | C7H4FNO | 详情 | 详情 |
| (IX) | 44960 | N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-2,3-dihydro-1,3-oxazol-4-yl]benzenesulfonamide | C29H23FN2O4S | 详情 | 详情 |
Extended Information