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【结 构 式】

【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
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