Ethyl 1-Methylimidazole-2-carboxylate - CAS 30148-21-1

Catalog:	BB020467
Product Name:	Ethyl 1-Methylimidazole-2-carboxylate
CAS:	30148-21-1
Synonyms:	1-methyl-2-imidazolecarboxylic acid ethyl ester; ethyl 1-methylimidazole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 1-methylimidazole-2-carboxylate
Description:	A useful synthetic intermediate for solid phase synthesis of polyamides containing imidazole.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCOC(=O)C1=NC=CN1C
InChI:	InChI=1S/C7H10N2O2/c1-3-11-7(10)6-8-4-5-9(6)2/h4-5H,3H2,1-2H3
InChI Key:	NOTZYDYZBOBDFE-UHFFFAOYSA-N
Boiling Point:	254.8 °C at 760 mmHg
Density:	1.14 g/cm³
Appearance:	White solid
MDL:	MFCD02683326
LogP:	0.59680

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
TW-202037372-A	Cyclic amine derivatives and novel cyclic amine derivatives as nerve cell skeleton protein function promoters and their medical uses	20181226
WO-2020138281-A1	Cyclic amine derivative as advillin function promoter and novel cyclic amine derivative and pharmaceutical use thereof	20181226
CN-113194947-A	Cyclic amine derivatives as Advillin function promoters and novel cyclic amine derivatives and pharmaceutical use thereof	20181226

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6