1H-Imidazole-1-carboxylic acid, methyl ester (9CI)

Base Information

• Chemical Name: 1H-Imidazole-1-carboxylic acid, methyl ester (9CI)
• CAS No.: 61985-23-7
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 2933290090
• Mol file: 61985-23-7.mol

Synonyms:1H-Imidazole-1-carboxylic acid, methyl ester (9CI)

Chemical Property of 1H-Imidazole-1-carboxylic acid, methyl ester (9CI)

Chemical Property:

• Melting Point: 38-44°C
• Boiling Point: 219.1±23.0 °C(Predicted)
• PKA: 3.52±0.10(Predicted)
• Flash Point: 90℃
• PSA: 44.12000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 0.49760
• Storage Temp.: ?20°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 1H-imidazole-1-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 1H-imidazole-1-carboxylate can be used to prepare fluorous β-keto esters, precursors used for the synthesis of fluorinated L-carbidopa derivatives.

Technology Process of 1H-Imidazole-1-carboxylic acid, methyl ester (9CI)

There total 5 articles about 1H-Imidazole-1-carboxylic acid, methyl ester (9CI) 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: 90.0%

1H-imidazole (288-32-4) + methyl chloroformate (79-22-1) → methyl 1-imidazolecarboxylate (61985-23-7)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 5h;

DOI:10.1016/j.tetlet.2015.06.069

Reference yield:

methanol (67-56-1) + 1,1'-carbonyldiimidazole (530-62-1) → methyl 1-imidazolecarboxylate (61985-23-7)

Guidance literature:

In chloroform; for 0.5h; Ambient temperature;

Reference yield:

methanol (67-56-1) + C6H15N*C51H78F3N8O28P + 1,1'-carbonyldiimidazole (530-62-1) → C55H80F3N10O29P + methyl 1-imidazolecarboxylate (61985-23-7)

Guidance literature:

C₆H₁₅N*C₅₁H₇₈F₃N₈O₂₈P; 1,1'-carbonyldiimidazole; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 2h;

methanol; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1002/chem.201400307

upstream raw materials:

1H-imidazole

methyl chloroformate

methanol

1,1'-carbonyldiimidazole

Downstream raw materials:

methyl 2-phenyl-2-(phenylamino)acetate

methyl α-(p-methoxyphenylamino)-α-phenylacetate

methyl (+/-)-4-methoxy-2-oxo-3-cyclopentene-1-carboxylate

methyl 2-(4-chlorophenyl)-2-((4-methoxyphenyl)amino)acetate