1-Methyl-1H-imidazole-4-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-1H-imidazole-4-carboxylic acid
• CAS No.: 41716-18-1
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 29339900
• Mol file: 41716-18-1.mol

Synonyms:1-Methylimidazole-4-carboxylic acid;

Chemical Property of 1-Methyl-1H-imidazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.38E-07mmHg at 25°C
• Melting Point: 245 °C
• Boiling Point: 399.1 °C at 760 mmHg
• PKA: 1.61±0.10(Predicted)
• Flash Point: 195.1 °C
• Density: 1.34 g/cm³
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: DMSO, Methanol

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-1H-imidazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 1-Methyl-1H-imidazole-4-carboxylic acid

There total 4 articles about 1-Methyl-1H-imidazole-4-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

1-methyl-1H-imidazole-4,5-dicarboxylic acid (19485-38-2) → 1-methylimidazole-4-carboxylic acid (41716-18-1)

Guidance literature:

With N,N-dimethyl acetamide; at 180 ℃; for 3h;

DOI:10.1055/s-1988-27702

Reference yield:

1-methyl-1H-imidazole-4,5-dicarboxylic acid (19485-38-2) → 1-methyl-1H-imidazole-5-carboxylic acid (41806-40-0) + 1-methylimidazole-4-carboxylic acid (41716-18-1)

Guidance literature:

With acetic anhydride; at 95 - 100 ℃; Title compound not separated from byproducts;

DOI:10.1021/ol053118z

Reference yield:

1-methyl-4,5-dicyanoimidazole (19485-35-9) → 1-methylimidazole-4-carboxylic acid (41716-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / sodium hydroxide / Heating

2: acetic anhydride / 95 - 100 °C

With sodium hydroxide; acetic anhydride;

DOI:10.1021/ol053118z

upstream raw materials:

1-methyl-1H-imidazole-4,5-dicarboxylic acid

1-methyl-4,5-dicyanoimidazole

Downstream raw materials:

(4-fluoro-phenyl)-{(S)-3-[5-(1-methyl-1H-imidazol-4-yl)-[1,2,4]oxadiazol-3-yl]-piperidin-1-yl}-methanone

N-[(2-bromopyridin-4-yl)methyl]-1-methyl-N-propyl-1H-imidazole-4-carboxamide

Refernces

• 1、 O'Connell, John F.,Parquette, Jonathan,Yelle, William E.,Wang, Wilhelm,Rapoport, Henry. "Convenient Synthesis of Methyl 1-Methyl-2,4-dibromo-5-imidazolecarboxylate". . p. 767 - 771. Retrieved 2007/10/02.