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【结 构 式】 
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【分子编号】41078 【品名】2-[hydroxy(3-methylphenyl)methyl]-N-methylbenzenesulfonamide 【CA登记号】 |
【 分 子 式 】C15H17NO3S 【 分 子 量 】291.37092 【元素组成】C 61.83% H 5.88% N 4.81% O 16.47% S 11.01% |
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)Reaction of benzenesulfonyl chloride (I) with methylamine afforded sulfonamide (II). Regioselective ortho lithiation of (II) with n-butyllithium, followed by condensation with 3-methylbenzaldehyde (III) gave carbinol (IV), which was cyclized to the sultam (V) by treatment with concentrated H2SO4. The desired (S)-enantiomer was finally isolated by chiral HPLC.
| 【1】 Johnson, S.C.; Yan, S.; Mayasundari, A.; Mao, J.; Baker, D.C. (University of Tennessee, Knoxville); Methods of synthesizing sultams and anti-viral compsns.. WO 0004004 . |
| 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) | 14713 | benzenesulfonyl chloride | 98-09-9 | C6H5ClO2S | 详情 | 详情 |
| (II) | 41076 | N-methylbenzenesulfonamide | 5183-78-8 | C7H9NO2S | 详情 | 详情 |
| (III) | 41077 | 3-methylbenzaldehyde | 620-23-5 | C8H8O | 详情 | 详情 |
| (IV) | 41078 | 2-[hydroxy(3-methylphenyl)methyl]-N-methylbenzenesulfonamide | C15H17NO3S | 详情 | 详情 | |
| (V) | 41079 | 2-methyl-3-(3-methylphenyl)-2,3-dihydro-1H-1,2-benzisothiazole-1,1-dione | C15H15NO2S | 详情 | 详情 |
Extended Information