Methyl 2-(1H-benzo[d]imidazol-1-yl)acetate

Base Information

• Chemical Name: Methyl 2-(1H-benzo[d]imidazol-1-yl)acetate
• CAS No.: 19809-30-4
• Molecular Formula: C₁₀H₁₀N₂O₂
• Molecular Weight: 190.202
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70364242
• Wikidata: Q82148092
• Mol file: 19809-30-4.mol

Synonyms:19809-30-4;Methyl 2-(1H-benzo[d]imidazol-1-yl)acetate;methyl 2-(benzimidazol-1-yl)acetate;1H-Benzimidazole-1-aceticacid,methylester(9CI);Methyl (1H-benzimidazol-1-yl)acetate;Benzoimidazol-1-yl-acetic acid, methyl ester;SCHEMBL11577563;DTXSID70364242;AKOS002677170;1h-benzimidazole-1acetic acid methyl ester;methyl 2-(1H-1,3-benzodiazol-1-yl)acetate

Chemical Property of Methyl 2-(1H-benzo[d]imidazol-1-yl)acetate

Chemical Property:

• PSA: 44.12000
• LogP: 1.20930
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-(1H-benzo[d]imidazol-1-yl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN1C=NC2=CC=CC=C21

Technology Process of Methyl 2-(1H-benzo[d]imidazol-1-yl)acetate

There total 3 articles about Methyl 2-(1H-benzo[d]imidazol-1-yl)acetate 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: 84.0%

benzoimidazole (51-17-2,79351-71-6) + methyl chloroacetate (96-34-4) → methyl ester of benzimidazolyl-1-acetic acid (19809-30-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 - 90 ℃; for 24h;

DOI:10.1007/BF00534469

Reference yield:

benzoimidazole (51-17-2,79351-71-6) + bromoacetic acid methyl ester (96-32-2) → methyl ester of benzimidazolyl-1-acetic acid (19809-30-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

DOI:10.1246/bcsj.20130221

Reference yield:

→ methyl ester of benzimidazolyl-1-acetic acid (19809-30-4)

Guidance literature:

Benzimidazol, α-Brom-essigsaeuremethylester, AgNO3;

upstream raw materials:

benzoimidazole

methyl chloroacetate

bromoacetic acid methyl ester

Downstream raw materials:

C₁₀H₁₀N₆S

3-(1-benzimidazolylmethyl)-6-p-tolyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole