Ethyl 4-Oxotetrahydropyran-2-carboxylate - CAS 287193-07-1

Catalog:	BB019928
Product Name:	Ethyl 4-Oxotetrahydropyran-2-carboxylate
CAS:	287193-07-1
Synonyms:	4-oxo-2-oxanecarboxylic acid ethyl ester; ethyl 4-oxooxane-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-oxooxane-2-carboxylate
Description:	Ethyl 4-Oxotetrahydropyran-2-carboxylate (CAS# 287193-07-1) is a useful research chemical. It is used in the preparation of aminoquinazoline derivatives for use as A2a antagonists.
Molecular Weight:	172.18
Molecular Formula:	C8H12O4
Canonical SMILES:	CCOC(=O)C1CC(=O)CCO1
InChI:	InChI=1S/C8H12O4/c1-2-11-8(10)7-5-6(9)3-4-12-7/h7H,2-5H2,1H3
InChI Key:	MECFFZNWFZDTRY-UHFFFAOYSA-N
Appearance:	Colorles clear liquid
LogP:	0.29760

Publication Number	Title	Priority Date
EP-3331532-A1	Substituted aminoquinazoline compounds as a2a antagonist	20150710
US-2018362530-A1	Substituted aminoquinazoline compounds as a2a antagonist	20150710
WO-2017008205-A1	Substituted aminoquinazoline compounds as a2a antagonist	20150710
WO-2017011214-A1	Substituted aminoquinazoline compounds as a2a antagonist	20150710
US-10822338-B2	Substituted aminoquinazoline compounds as A2A antagonist	20150710

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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
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.07355886
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.07355886
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1