Ethyl 1-Benzylimidazole-2-carboxylate - CAS 865998-45-4

Catalog:	BB037995
Product Name:	Ethyl 1-Benzylimidazole-2-carboxylate
CAS:	865998-45-4
Synonyms:	1-(phenylmethyl)-2-imidazolecarboxylic acid ethyl ester; ethyl 1-benzylimidazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1-benzylimidazole-2-carboxylate
Description:	Ethyl 1-Benzylimidazole-2-carboxylate (CAS# 865998-45-4) is a useful research chemical.
Molecular Weight:	230.26
Molecular Formula:	C13H14N2O2
Canonical SMILES:	CCOC(=O)C1=NC=CN1CC2=CC=CC=C2
InChI:	InChI=1S/C13H14N2O2/c1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChI Key:	IKHCKQVOPBTOEG-UHFFFAOYSA-N
MDL:	MFCD11857953
LogP:	2.10810

Publication Number	Title	Priority Date
CN-111187218-A	Application of 1-substituted-1H-imidazole-2-carboxylic acid compounds in preparation of metal Î² -lactamase inhibitor	20200226
CN-111253317-A	1-substituted-1H-imidazole-2-carboxylic acid compound	20200226
JP-2017066077-A	Method for producing imidazole-2-carboxylic acid ester derivative or salt thereof	20150930
JP-6507976-B2	Method for producing imidazole-2-carboxylic acid ester derivative or salt thereof	20150930
EP-2755964-B1	Sulfonic acid salts of heterocyclylamide-substituted imidazoles	20110914

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Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.105527694
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.105527694
Rotatable Bond Count:	5
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2