1-Isobutyl-2-methylimidazole

Product Name1-Isobutyl-2-methylimidazole
CAS116680-33-2
MFC8H14N2
MW138.21
EINECS
MOL File116680-33-2.mol

Chemical Properties

Boiling point	225-256 °C
Density	0.94±0.1 g/cm3(Predicted)
pka	7.80±0.31(Predicted)
InChI	InChI=1S/C8H14N2/c1-7(2)6-10-5-4-9-8(10)3/h4-5,7H,6H2,1-3H3
InChIKey	SVNWKKJQEFIURY-UHFFFAOYSA-N
SMILES	C1(C)N(CC(C)C)C=CN=1

Usage And Synthesis

Application

1-Isobutyl-2-methylimidazole is an important coating additive and pharmaceutical intermediate, which can be obtained by nucleophilic substitution of 2-methylimidazole and chloroisobutane.

Description

1-Isobutyl-2-methylimidazole is an important coating additive and pharmaceutical intermediate. This compound is mainly prepared from 2-methylimidazole and iodoalkane as raw materials.

Synthesis

In 100 ml of toluene add 25 ml of triethylamine, add 12.3 g of 2-methylimidazole, heating to 60 ~ 65 C, dissolved clear at this temperature slowly added 16.7 g of chlorinated isobutane dropwise, dropwise completion of the 60 ~ 65 C holding time of 3 hours, 3 hours after a slow increase in temperature to 100 ~ 110 C, and then held at this temperature for 5 hours, holding time completion of the cooled to 10 C or less, filtration , the filtrate was distilled and 13 g of 96-98C (4.5 mmHg) fraction was collected as 1-isobutyl-2-methylimidazole. The molar yield of the method was 63% in terms of 2-methylimidazole.