Ethyl Imidazole-4-carboxylate - CAS 23785-21-9

Catalog:	BB018184
Product Name:	Ethyl Imidazole-4-carboxylate
CAS:	23785-21-9
Synonyms:	1H-imidazole-5-carboxylic acid ethyl ester; ethyl 1H-imidazole-5-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 1H-imidazole-5-carboxylate
Description:	Ethyl Imidazole-4-carboxylate (CAS# 23785-21-9) is a ring-substituted-1H-imidazole-4-carboxylic acid derivative, that is shown to act as a new class of anti-tuberculosis agents.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CCOC(=O)C1=CN=CN1
InChI:	InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8)
InChI Key:	KLWYPRNPRNPORS-UHFFFAOYSA-N
Boiling Point:	319.5 °C at 760 mmHg
Density:	1.214 g/cm³
MDL:	MFCD02646639
LogP:	0.58640

Publication Number	Title	Priority Date
CN-111763173-A	Phenethyl imidazole derivative and application thereof	20200714
JP-2021143218-A	A resin composition and a method for producing a heat-reversible crosslinkable molded product using the resin composition.	20200310
US-2021292301-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021160718-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021116446-A1	Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211

PMID	Publication Date	Title	Journal
15337293	20040901	Ring-substituted imidazoles as a new class of anti-tuberculosis agents	European journal of medicinal chemistry

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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
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6