Ethyl 2-(1H-imidazol-1-yl)benzoate

Base Information

• Chemical Name: Ethyl 2-(1H-imidazol-1-yl)benzoate
• CAS No.: 117296-92-1
• Molecular Formula: C12H12N2O2
• Molecular Weight: 216.23588
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID60560594
• Wikidata: Q82444037
• Mol file: 117296-92-1.mol

Synonyms:Ethyl 2-(1H-imidazol-1-yl)benzoate;117296-92-1;ethyl 2-imidazol-1-ylbenzoate;Benzoic acid, 2-(1H-imidazol-1-yl)-, ethyl ester;DTXSID60560594;Ethyl2-(1H-imidazol-1-yl)benzoate;AKOS022172809;DS-15233;A893403

Chemical Property of Ethyl 2-(1H-imidazol-1-yl)benzoate

Chemical Property:

• PSA: 44.12000
• LogP: 2.04900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(1H-imidazol-1-yl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1N2C=CN=C2

Technology Process of Ethyl 2-(1H-imidazol-1-yl)benzoate

There total 1 articles about Ethyl 2-(1H-imidazol-1-yl)benzoate 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: 43.0%

1H-imidazole (288-32-4) + 2-fluoro-benzoic acid ethyl ester (443-26-5) → ethyl 2-(1H-imidazol-1-yl)benzoate (117296-92-1)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 100 ℃; for 18h;

DOI:10.1016/0223-5234(92)90005-L

Reference yield: 81.0%

ethyl 2-(1H-imidazol-1-yl)benzoate (117296-92-1) → 2-imidazol-1-yl-benzoic acid hydrazide (99072-70-5)

Guidance literature:

With hydrazine hydrate; In ethanol; at 100 ℃; for 3h;

DOI:10.1016/0223-5234(92)90005-L

upstream raw materials:

1H-imidazole

2-fluoro-benzoic acid ethyl ester

Downstream raw materials:

2-imidazol-1-yl-benzoic acid hydrazide