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【结 构 式】

【分子编号】51840

【品名】sodium 1-([[(cyanoimino)(sulfido)methyl]amino]methyl)benzene

【CA登记号】

【 分 子 式 】C9H8N3NaS

【 分 子 量 】213.238508

【元素组成】C 50.69% H 3.78% N 19.71% Na 10.78% S 15.04%

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)

Epoxidation of the chiral benzopyran derivative (I) by means of oxone furnished the diastereomeric epoxides (II). Subsequent epoxide ring opening with ethanolic ammonia gave rise to the mixture of amino alcohols (III) and (IV). Condensation of this mixture with N-cyano-N'-benzylthiourea sodium salt (V) in the presence of EDC produced the corresponding mixture of guanidines from which the target (2S,3S,4R)-isomer (VI) was isolated by column chromatography. Finally, reduction of the nitro group of (VI) to the desired amine was accomplished by treatment with NaBH4 in the presence of cupric acetate.

1 Benzopyranyl guanidine derivs., process for preparation thereof, and pharmaceutical compsns. containing them. US 6323238; WO 0129023 .
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) 51836 (2S)-2-(dimethoxymethyl)-2-methyl-6-nitro-2H-chromene; methoxy[(2S)-2-methyl-6-nitro-2H-chromen-2-yl]methyl methyl ether C13H15NO5 详情 详情
(II) 51837 methoxy[(2S)-2-methyl-6-nitro-1a,7b-dihydro-2H-oxireno[2,3-c]chromen-2-yl]methyl methyl ether; (2S)-2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydro-2H-oxireno[2,3-c]chromene C13H15NO6 详情 详情
(III) 51838 (2S,3S,4R)-4-amino-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-chromen-3-ol C13H18N2O6 详情 详情
(IV) 51839 (2S,3R,4S)-4-amino-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-chromen-3-ol C13H18N2O6 详情 详情
(V) 51840 sodium 1-([[(cyanoimino)(sulfido)methyl]amino]methyl)benzene C9H8N3NaS 详情 详情
(VI) 51841 N-benzyl-N''-cyano-N'-[(2S,3S,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-chromen-4-yl]guanidine C22H25N5O6 详情 详情
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