3-Chlorotetrahydropyran-4-one - CAS 160427-98-5

Name: 3-Chlorotetrahydropyran-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011635
Product Name:	3-Chlorotetrahydropyran-4-one
CAS:	160427-98-5
Synonyms:	3-chloro-4-oxanone; 3-chlorooxan-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-chlorooxan-4-one
Description:	3-Chlorotetrahydropyran-4-one (CAS# 160427-98-5) is used as a reactant in the synthesis of naphthyridine derivatives as chemokine receptor antagonists useful in the treatment of pain.
Molecular Weight:	134.56
Molecular Formula:	C5H7ClO2
Canonical SMILES:	C1COCC(C1=O)Cl
InChI:	InChI=1S/C5H7ClO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2
InChI Key:	GUHAJPZAYADBSB-UHFFFAOYSA-N
LogP:	0.58320

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Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

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Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Publication Number	Title	Priority Date
WO-2013010453-A1	Chemoking receptor antagonists	20110715
AU-2005215851-A1	Catalytic asymmetric synthesis of optically active alpha-halo-carbonyl compounds	20040219
AU-2005215851-B2	Catalytic asymmetric synthesis of optically active alpha-halo-carbonyl compounds	20040219
CA-2554297-A1	Catalytic asymmetric synthesis of optically active .alpha.-halo-carbonyl compounds	20040219
EP-1716088-A1	Catalytic asymmetric synthesis of optically active alpha-halo-car bonyl compounds	20040219

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.0134572
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.0134572
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3