41716-18-1

Basic information

• Product Name: 1-Methyl-1H-imidazole-4-carboxylic acid
• Synonyms: BUTTPARK 90\06-31;1-METHYLIMIDAZOLE-4-CARBOXYLIC ACID;1-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID;1-Methyl-1H-4carboxylicacid;1-Methyl-1H-imidazole-4-carboxylic acid, 90+%;1-Methyl-1H-imidazole-4-carboxylic acid ,95%;1-methyl-1H-imidzole-4-carboxylic acid;1-methyl-4-imidazole-carboxylic acid
• CAS NO: 41716-18-1
• Molecular Formula: C₅H₆N₂O₂
• Molecular Weight: 126.11
• EINECS: 1312995-182-4
• Product Categories: blocks;Carboxes;Imidazoles;Carboxylic Acids;Imidazoles & Benzimidazoles;Carboxylic Acids;Imidazoles & Benzimidazoles;Building Blocks;Heterocyclic Building Blocks
• Mol File: 41716-18-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 245 °C
• Boiling Point: 399.1 °C at 760 mmHg
• Flash Point: 195.1 °C
• Appearance: /
• Density: 1.34 g/cm³
• Vapor Pressure: 4.38E-07mmHg at 25°C
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: DMSO, Methanol
• PKA: 1.61±0.10(Predicted)
• Sensitive: Hygroscopic
• CAS DataBase Reference: 1-Methyl-1H-imidazole-4-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-1H-imidazole-4-carboxylic acid(41716-18-1)
• EPA Substance Registry System: 1-Methyl-1H-imidazole-4-carboxylic acid(41716-18-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 41716-18-1(Hazardous Substances Data)

Usage

Chemical Properties

White to light brown solid

InChI:InChI=1/C5H6N2O2/c1-7-2-4(5(8)9)6-3-7/h2-3H,1H3,(H,8,9)/p-1

Upstream product

• 19485-38-2 1-methyl-1H-imidazole-4,5-dicarboxylic acid 
• 19485-35-9 1-methyl-4,5-dicyanoimidazole 

Downstream Products

• 1027711-57-4 1-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole-3-carboxamide 
• 883194-84-1 imidazol-1-yl(1-methyl-1H-imidazol-4-yl)-methanone 
• 17289-25-7 hydroxymethylene-4 N-methylimidazole 
• 17289-19-9 methyl 1-methyl-1H-imidazole-4-carboxylate 
• 1032085-43-0 methyl 3-{{cis-4-[(tert-butoxycarbonyl)amino]cyclohexyl}[(1-methyl-1H-imidazol-4-yl)carbonyl]amino}cyclobutanecarboxylate 
• 873221-68-2 1-methyl-1H-imidazole-4-carboxylic acid N-methoxy-N-methylamide 

Relevant articles and documents

Efficient synthesis of trisimidazole and glutaric acid bearing porphyrins: Ligands for active-site models of bacterial nitric oxide reductase

Ligands (1) for active-site models of bacterial nitric oxide reductase (NOR) have been efficiently synthesized. These compounds (1) feature three imidazolyl moieties and one carboxylic acid residue at the FeB site, which represent the closest available synthetic model ligands of NOR active center. The stereo conformations of these ligands are established on the basis of steric effects and 1H NMR chemical shifts under the ring current effect of the porphyrin.

Selective Decarboxylation of 1-Methyl-4,5-imidazoledicarboxylic Acid

The selective decarboxylation of 1-methyl-4,5-imidazoledicarboxylic acid was carried out in various solvents. 1-Methyl-5-imidazolecarboxylic acid was obtained by heating in acetic or propionic anhydride, whereas 1-methyl-4-imidazolecarboxylic acid was obtained in N,N-dimethylformamide, N,N-dimethylacetamide, or N-methylpyrrolidone or by pyrolysis.The reaction mechanism is discussed.