N-(2-amino-2-methylpropyl)urea -Drug Synthesis Database

【结构式】

【分子编号】29646

【品名】N-(2-amino-2-methylpropyl)urea

【CA登记号】

【分子式】C₅H₁₃N₃O

【分子量】131.17784

【元素组成】C 45.78% H 9.99% N 32.03% O 12.2%

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：(III)

The condensation in DMF of 1,1-dimethyl-2-[(aminocarbonyl)amino]ethylamine (III) [prepared from 1,2-diamino-2-methylpropane (I) and urea (II)] and 2,3-epoxypropyl o-fluorobenzoate (VI) [prepared from o-fluorobenzoyl chloride (VI) and glycidol (V) in diethyl ether using triethylamine as a proton scavenger], followed by salt formation using 98% sulfuric acid in ethanol yields ACC-9089.

参考文献中间体

合成目标

【1】 Mai, K.X.; Kam, S.T.; Matier, W.L.; O'Donnel, J.P.; Sum, C.Y.; Gorczynski, R.J.; Lee, R.J.; Stamfli, H.F.; Barcelon-Yang, C.; Anderson, W.G.; Borgman, R.J.; [(Arylcarbonyl)oxy]propanolamines. 1. Novel beta-blockers with ultrashort duration of action. J Med Chem 1984, 27, 8, 1007.
【2】 Day, B.W.; Pento, J.T.; ACC-9089. Drugs Fut 1985, 10, 6, 447.

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)	29645	2-amino-1,1-dimethylethylamine; 2-methyl-1,2-propanediamine	811-93-8	C₄H₁₂N₂	详情	详情
(II)	19310	urea	57-13-6	CH₄N₂O	详情	详情
(III)	29646	N-(2-amino-2-methylpropyl)urea		C₅H₁₃N₃O	详情	详情
(IV)	19551	2-Fluorobenzoyl chloride	393-52-2	C₇H₄ClFO	详情	详情
(V)	29648	2-oxiranylmethanol	556-52-5	C₃H₆O₂	详情	详情
(VI)	29647	2-oxiranylmethyl 2-fluorobenzoate		C₁₀H₉FO₃	详情	详情

Extended Information