N-(tert-pentyl)-N'-(3-pyridinyl)carbodiimide -Drug Synthesis Database

【结构式】

【分子编号】59207

【品名】N-(tert-pentyl)-N'-(3-pyridinyl)carbodiimide

【CA登记号】

【分子式】C₁₁H₁₅N₃

【分子量】189.26032

【元素组成】C 69.81% H 7.99% N 22.2%

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)

Thiourea (III) was prepared by condensation of 3-pyridyl isothiocyanate (I) with 1,1-dimethylpropyl amine (II). Desulfuration of thiourea (III) by means of phosgene and diisopropyl ethylamine, or triphenylphosphine and CCl4 gave rise to the carbodiimide (IV). Finally, addition of cyanamide to carbodiimide (IV) furnished the target N-cyanoguanidine derivative

参考文献中间体

合成目标

【1】 Manley, P.W.; Quast, U.; Structure-activity studies of potassium channel opening in pinacidil-type cyanoguanidines, nitroethenediamines, thioureas, and ureas. J Med Chem 1992, 35, 12, 2327.
【2】 Petersen, H.J. (Leo Pharmaceutical Products Ltd. A/S); Antihypertensive pyridylguanidine compounds. DE 2557438; FR 2294703; GB 1489879; JP 51086474; US 4057636 .

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)	59205	Pyridine-3-isothiocyanate		C₆H₄N₂S	详情	详情
(II)	24439	2-methyl-2-butanamine	594-39-8	C₅H₁₃N	详情	详情
(III)	59206	N-(tert-pentyl)-N'-(3-pyridinyl)thiourea		C₁₁H₁₇N₃S	详情	详情
(IV)	59207	N-(tert-pentyl)-N'-(3-pyridinyl)carbodiimide		C₁₁H₁₅N₃	详情	详情

Extended Information