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【结 构 式】 
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【分子编号】54659 【品名】sodium 4-hydroxybenzenesulfonate 【CA登记号】 |
【 分 子 式 】C6H5NaO4S 【 分 子 量 】196.159068 【元素组成】C 36.74% H 2.57% Na 11.72% O 32.63% S 16.35% |
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：(V)In a different method, sodium 4-hydroxybenzenesulfonate (V) was converted to the sulfonyl chloride (VI) upon treatment with thionyl chloride in hot 1,2-dichloroethane. Reaction of acid chloride (VI) with aniline provided sulfonamide (VII). Alkylation of the phenolic hydroxyl group of (VII) with 3-chloro-3-methyl-1-butyne (VIII) in the presence of DBU and CuCl gave the propargyl ether (IX), which was then cyclized to benzopyran (IV) under Claisen rearrangement conditions.
| 【1】 Manley, P.W. (Novartis AG; Novartis Deutschland GmbH); Benzopyrans and pharmaceutical compsns. containing them. EP 0828733; JP 1999505820; US 5905156; WO 9637490 . |
| 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) | 54658 | 2,2-dimethyl-N-phenyl-2H-chromene-6-sulfonamide | C17H17NO3S | 详情 | 详情 | |
| (V) | 54659 | sodium 4-hydroxybenzenesulfonate | C6H5NaO4S | 详情 | 详情 | |
| (VI) | 54660 | 4-hydroxybenzenesulfonyl chloride | C6H5ClO3S | 详情 | 详情 | |
| (VII) | 54661 | 4-hydroxy-N-phenylbenzenesulfonamide | C12H11NO3S | 详情 | 详情 | |
| (VIII) | 22416 | 3-chloro-3-methyl-1-butyne | 1111-97-3 | C5H7Cl | 详情 | 详情 |
| (IX) | 54662 | 4-[(1,1-dimethyl-2-propynyl)oxy]-N-phenylbenzenesulfonamide | C17H17NO3S | 详情 | 详情 |
Extended Information