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CAS Number: 86718-07-2
ethyl 4-(1H-imidazol-1-yl)benzoate

Structure

ethyl 4-(1H-imidazol-1-yl)benzoate
Name: ethyl 4-(1H-imidazol-1-yl)benzoate
Synonyms:
General Information
Product Number: 86718072

CAS Registry Number 86718-07-2
Name:
Benzoic acid, 4-​(1H-​imidazol-​1-​yl)​-​, ethyl ester
1-(4-(Ethoxycarbonyl)phenyl)imidazole
Ethyl 4-(1H-imidazol-1-yl)benzoate

 

Chemical Formula: C12H12N2O2
Exact Mass: 216.09
Molecular Weight: 216.24
m/z: 216.09 (100.0%), 217.09 (13.8%)

 

InChI:InChI=1S/C12H12N2O2/c1-2-16-12(15)10-3-5-11(6-4-10)14-8-7-13-9-14/h3-9H,2H2,1H3

InChI Key:JXZSKUXJSZZMON-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2

 

Thermal Properties Value Condition Note
Melting Point 101-103 °C   (7)CAS
Melting Point 101-103 °C   (8)CAS

Specification

98%

References
  1. (7) Altman, Ryan A.; Organic Letters 2006, V8(13), P2779-2782 CAPLUS
  2. (8) Altman, Ryan A.; Journal of Organic Chemistry 2007, V72(16), P6190-6199 CAPLUS
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