1H-Imidazole-5-carboxylic acid, 4-cyano-, ethyl ester

Base Information

• Chemical Name: 1H-Imidazole-5-carboxylic acid, 4-cyano-, ethyl ester
• CAS No.: 59253-74-6
• Molecular Formula: C7H7 N3 O2
• Molecular Weight: 165.15
• Mol file: 59253-74-6.mol

Synonyms:1H-Imidazole-4-carboxylicacid, 5-cyano-, ethyl ester (9CI); Imidazole-4(or 5)-carboxylic acid, 5(or4)-cyano-, ethyl ester (6CI)

Chemical Property of 1H-Imidazole-5-carboxylic acid, 4-cyano-, ethyl ester

Chemical Property:

• Melting Point: 185 °C
• Boiling Point: 447.7±30.0 °C(Predicted)
• PKA: 6.88±0.10(Predicted)
• PSA: 78.77000
• Density: 1.31±0.1 g/cm3(Predicted)
• LogP: 0.45808

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Imidazole-5-carboxylic acid, 4-cyano-, ethyl ester

There total 2 articles about 1H-Imidazole-5-carboxylic acid, 4-cyano-, ethyl ester 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: 20.0%

4,5-dicyano-1H-imidazole (1122-28-7) + ethanol (64-17-5) → 5-cyano-1H-imidazole-4-carboxylic acid ethyl ester (59253-74-6)

Guidance literature:

With sulfuric acid; for 48h; Heating;

DOI:10.1016/S0040-4020(01)86980-5

Reference yield:

→ 5-cyano-1(3)H-imidazole-4-carboxylic acid ethyl ester (59253-74-6)

Guidance literature:

With water;

Reference yield: 67.0%

1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose (6974-32-9) + 5-cyano-1H-imidazole-4-carboxylic acid ethyl ester (59253-74-6) → ethyl 5-cyano-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole-4-carboxylate (1007353-25-4) + ethyl 4-cyano-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole-5-carboxylate (1007353-23-2)

Guidance literature:

With chloro-trimethyl-silane; trifluorormethanesulfonic acid; 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile; at 5 ℃; for 1.5h;

DOI:10.1021/jm700931t

upstream raw materials:

4,5-dicyano-1H-imidazole

ethanol

Downstream raw materials:

ethyl 5-cyano-1-[(2'-deoxy-3',5'-di-O-p-toluoyl)-β-D-erythropentofuranosyl]imidazole-4-carboxylate

ethyl 4-cyano-1-[(2'-deoxy-3',5'-di-O-p-toluoyl)-β-D-erythropentofuranosyl]imidazole-5-carboxylate

4-amino-1-(2'-deoxy-β-D-erythropentofuranosyl)-3H-imidazo[4,5-d]pyridazin-7(6H)-one

7-amino-1-(2'-deoxy-β-D-erythropentofuranosyl)-1H-imidazo[4,5-d]pyridazin-4(5H)-one