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【结 构 式】 
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【分子编号】17889 【品名】3,3-dimethyl-4,8b-dihydro-3H-[1,2]oxazireno[3,2-a]isoquinoline 【CA登记号】 |
【 分 子 式 】C11H13NO 【 分 子 量 】175.23036 【元素组成】C 75.4% H 7.48% N 7.99% O 9.13% |
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)Cyclization of N-formyl-alpha,alpha-dimethyl-b-phenethylamine (I) with phosphorous pentoxide in refluxing toluene led to isoquinoline (II), which was oxidized with 3-chloroperbenzoic acid (III) in dichloromethane at 0 C to give oxaziridine (IV). Finally, oxazirine (IV) was rearranged with sulfuric acid in aqueous methanol at room temperature to afford the target N-oxide.
| 【1】 Carr, A.A.; Thomas, C.E.; Bernotas, R.C.; Ku, G. (Merrell Pharmaceuticals, Inc.); Cyclic nitrones, their preparation and pharmaceutical compsns. containing them. EP 0532027; US 5292746 . |
| 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) | 17886 | 1,1-dimethyl-2-phenylethylformamide | C11H15NO | 详情 | 详情 | |
| (II) | 17887 | 3,3-dimethyl-3,4-dihydroisoquinoline | C11H13N | 详情 | 详情 | |
| (III) | 17888 | m-Chloroperbenzoic acid; 3-Chlorobenzenecarboperoxoic acid | 937-14-4 | C7H5ClO3 | 详情 | 详情 |
| (IV) | 17889 | 3,3-dimethyl-4,8b-dihydro-3H-[1,2]oxazireno[3,2-a]isoquinoline | C11H13NO | 详情 | 详情 |
Extended Information