tert-Butyl 2-Oxocyclopentanecarboxylate - CAS 84109-76-2

Catalog:	BB037131
Product Name:	tert-Butyl 2-Oxocyclopentanecarboxylate
CAS:	84109-76-2
Synonyms:	2-oxo-1-cyclopentanecarboxylic acid tert-butyl ester; tert-butyl 2-oxocyclopentane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-oxocyclopentane-1-carboxylate
Description:	tert-Butyl 2-Oxocyclopentanecarboxylate (CAS# 84109-76-2 ) is a useful research chemical.
Molecular Weight:	184.23
Molecular Formula:	C10H16O3
Canonical SMILES:	CC(C)(C)OC(=O)C1CCCC1=O
InChI:	InChI=1S/C10H16O3/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7H,4-6H2,1-3H3
InChI Key:	OGIKPUCMXHEUMK-UHFFFAOYSA-N
LogP:	1.69730

Publication Number	Title	Priority Date
CN-104230734-B	A kind of visible light catalytic secondary amine carries out the alkylating synthetic method of alpha-position	20130620
AU-2010202563-A1	New 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them	20090626
CN-101928241-A	2-mercaptopentancarboxacid acid derivatives, its preparation method and contain their medicinal compositions	20090626
EA-017867-B1	NEW COMPOUNDS OF 2-MERCAPTOCYCLOPENTANKARCARBIC ACID, METHOD FOR THEIR RECEIVING AND CONTAINING THEIR PHARMACEUTICAL COMPOSITIONS	20090626
EP-2272826-A1	2-mercaptopentancarboxylic acid derivatives, the method for preparing them and the pharmaceutical compositions containing them	20090626

PMID	Publication Date	Title	Journal
22191539	20120118	Asymmetric Diels-Alder and Ficini reactions with alkylidene β-ketoesters catalyzed by chiral ruthenium PNNP complexes: mechanistic insight	Journal of the American Chemical Society

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.109944368
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.109944368
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5