1,1-dimethyl-2-phenylethylformamide -Drug Synthesis Database

【结构式】

【分子编号】17886

【品名】1,1-dimethyl-2-phenylethylformamide

【CA登记号】

【分子式】C₁₁H₁₅NO

【分子量】177.24624

【元素组成】C 74.54% H 8.53% N 7.9% O 9.03%

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：(I)

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.

参考文献中间体

合成目标

【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