benzyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)propylcarbamate -Drug Synthesis Database

【结构式】

【分子编号】62060

【品名】benzyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)propylcarbamate

【CA登记号】

【分子式】C₂₂H₃₄N₄O₆

【分子量】450.53532

【元素组成】C 58.65% H 7.61% N 12.44% O 21.31%

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)

1,3-Diaminopropane (I) is mono-protected with benzyl chloroformate, producing carbamate (II). Coupling of (II) with N,N'-bis-Boc-S-methylisothiourea (III) yields the Boc-protected guanidine (IV). The benzyloxycarbonyl group of (IV) is then removed by catalytic hydrogenolysis to furnish the noragmatine derivative (V)

参考文献中间体

合成目标

【1】 Szelke, M.; Evans, D.M.; Jones, D.M. (Ferring AB); Kininogen inhibitors. WO 9507291 .

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)	19331	3-aminopropylamine; 1,3-propanediamine	109-76-2	C₃H₁₀N₂	详情	详情
(II)	62059	benzyl 3-aminopropylcarbamate		C₁₁H₁₆N₂O₂	详情	详情
(III)	22345	tert-butyl (E)-[(tert-butoxycarbonyl)amino](methylsulfanyl)methylidenecarbamate		C₁₂H₂₂N₂O₄S	详情	详情
(IV)	62060	benzyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)propylcarbamate		C₂₂H₃₄N₄O₆	详情	详情
(V)	26836	tert-butyl (Z)-[(3-aminopropyl)amino][(tert-butoxycarbonyl)amino]methylidenecarbamate		C₁₄H₂₈N₄O₄	详情	详情

Extended Information