N-(4-pyridinyl)-N'-(1,2,2-trimethylpropyl)carbodiimide; N-(4-pyridyl)-N'-(1,2,2-trimethylpropyl)carbodiimide -Drug Synthesis Database

【结构式】

【分子编号】32177

【品名】N-(4-pyridinyl)-N'-(1,2,2-trimethylpropyl)carbodiimide; N-(4-pyridyl)-N'-(1,2,2-trimethylpropyl)carbodiimide

【CA登记号】

【分子式】C₁₂H₁₇N₃

【分子量】203.2872

【元素组成】C 70.9% H 8.43% N 20.67%

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：(III)

This compound can be obtained in two related ways: 1) By reaction of N-(4-pyridyl)-N'-(1,2,2-trimethylpropyl)thiourea (I) with cyanamide (II) by means of dicyclohexylcarbodiimide (DCC) and ethyldiisopropylamine in ether. 2) The reaction of (I) with phosgene in toluene - THF by means of ethyldiisopropylamine in THF gives N-(4-pyridyl)-N'-(1,2,2-trimethylpropyl)carbodiimide (III), which is condensed with (II) by means of ethyldiisopropylamine.

参考文献中间体

合成目标

【1】 Petersen, H.J. (Leo Pharmaceutical Products Ltd. A/S); Antihypertensive pyridylguanidine compounds. DE 2557438; FR 2294703; GB 1489879; JP 51086474; US 4057636 .
【2】 Blancafort, P.; Castaner, J.; Serradell, M.N.; Hopkins, S.J.; P-1134. Drugs Fut 1981, 6, 3, 149.

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)	32176	N-(4-pyridyl)-N'-(1,2,2-trimethylpropyl)thiourea; N-(4-pyridinyl)-N'-(1,2,2-trimethylpropyl)thiourea		C₁₂H₁₉N₃S	详情	详情
(II)	19648	Cyanamide	420-04-2	CH₂N₂	详情	详情
(III)	32177	N-(4-pyridinyl)-N'-(1,2,2-trimethylpropyl)carbodiimide; N-(4-pyridyl)-N'-(1,2,2-trimethylpropyl)carbodiimide		C₁₂H₁₇N₃	详情	详情

Extended Information