1H-Imidazole-2-carboxylicacid,1-methyl-,methylester(9CI)

The 1-Methyl-1H-imidazole-2-carboxylic acid methyl ester, with the CAS registry number 62366-53-4, is also known as 1H-Imidazole-2-carboxylicacid, 1-methyl-, methylester (9CI). It belongs to the product category of Carboxylicester. This chemical's molecular formula is C₆H₈N₂O₂ and molecular weight is 140.1399. What's more, its systematic name is Methyl 1-methyl-1H-imidazole-2-carboxylate.

Physical properties about 1-Methyl-1H-imidazole-2-carboxylic acid methyl ester are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.55; (8)ACD/KOC (pH 7.4): 27.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 36.52 cm³; (15)Molar Volume: 117.9 cm³; (16)Polarizability: 14.47×10^-24 cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 47.87 kJ/mol; (21)Boiling Point: 241.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0353 mmHg at 25 °C.

Uses of 1-Methyl-1H-imidazole-2-carboxylic acid methyl ester: it is used to produce other chemicals. For example, it is used to produce 1, N, N-Trimethylimidazole-2-carboxamide. This reaction needs solvents Methanol and H₂O. This reaction needs two steps, the reaction conditions are 1) 0 °C, 5 h; 2) room temperature, overnight. The yield is about 84 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cn1ccnc1C(=O)OC
(2) InChI: InChI=1/C6H8N2O2/c1-8-4-3-7-5(8)6(9)10-2/h3-4H,1-2H3
(3) InChIKey: HEHAQSPPEDVSHC-UHFFFAOYAA