2-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 2-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 717-37-3
• Molecular Formula: C11H12N2O2
• Molecular Weight: 204.228
• Mol file: 717-37-3.mol

Synonyms:2-Methyl-1H-benzimidazole-5-carbonitrile;5-CYANO-2-METHYL-BENZIMIDAZOLE;2-Methyl-5-cyan-benzimidazol;5-ethoxycarbonyl-2-methylbenzimidazole;2-Methyl-5-ethoxycarbonyl-benzimidazol;ethyl 2-methyl-1H-benzimidazole-5-carboxylate;2-METHYLBENZIMIDAZOLE-5-CARBONITRILE;

Chemical Property of 2-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• Melting Point: 180 °C
• Boiling Point: 410.1±18.0 °C(Predicted)
• PKA: 10.84±0.10(Predicted)
• PSA: 54.98000
• Density: 1.232±0.06 g/cm3(Predicted)
• LogP: 2.04800

Purity/Quality:

97% ^*data from raw suppliers

2-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

There total 10 articles about 2-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID 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: 93.0%

ethanol (64-17-5) + 2-methyl-1H-benzoimidazole-5-carboxylic acid (709-19-3) → ethyl 2-methyl-1H-benzimidazole-5-carboxylate (717-37-3)

Guidance literature:

With thionyl chloride; for 3h; Heating;

DOI:10.1016/S0960-894X(02)00585-1

Reference yield: 78.0%

ethanol (64-17-5) + 3,4-dinitro-benzoic acid ethyl ester (35998-99-3) → 2-methyl-1(3)H-benzoimidazole-5-carboxylic acid ethyl ester (717-37-3)

Guidance literature:

With titanium(IV) oxide; for 4h; Irradiation;

DOI:10.1021/jo970253j

Reference yield:

3-acetylamino-4-nitro-benzoic acid ethyl ester (193013-89-7) → ethyl 2-methyl-1H-benzimidazole-5-carboxylate (717-37-3)

Guidance literature:

With hydrogenchloride; iron; sodium hydrogencarbonate; acetic acid; In ethanol; water; ethyl acetate;

upstream raw materials:

ethyl 3,4-diaminobenzoate

acetic acid

ethyl acetoacetate

ethanol

Downstream raw materials:

(2-methyl-1H-benzimidazol-5-yl)methanol

2-methyl-1H-benzimidazole-5-carbohydrazide

Refernces

• 1、 Galal, Shadia A.,Hegab, Khaled H.,Kassab, Ahmed S.,Rodriguez, Mireya L.,Kerwin, Sean M.,El-Khamry, Abdel-Mo'men A.,El Diwani, Hoda I.. "New transition metal ion complexes with benzimidazole-5-carboxylic acid hydrazides with antitumor activity". experimental part. p. 1500 - 1508. Retrieved 2009/07/11.
• 2、 Cui, Jingrong Jean,Araldi, Gian-Luca,Reiner, John E.,Reddy, Komandla Malla,Kemp, Scott J.,Ho, Jonathan Z.,Siev, Daniel V.,Mamedova, Lala,Gibson, Tony S.,Gaudette, John A.,Minami, Nathaniel K.,Anderson, Susanne M.,Bradbury, Annette E.,Nolan, Thomas G.,Semple. "Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates". . p. 2925 - 2930. Retrieved 2007/10/03.