ChemicalBook--->CAS DataBase List--->68767-14-6

68767-14-6

68767-14-6 Structure

68767-14-6 Structure
IdentificationMore
[Name]

Loxoprofen
[CAS]

68767-14-6
[Synonyms]

OLOXO
LOXOPROFEN
IOXOPROFEN
Loxoprofen USP
Loxoprofen See L472900
Loxoprofen (base and/or unspecified salts)
2-[p-(2-Oxocyclopentylmethyl)phenyl]propionic acid
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
2-[4-(2-OXO-CYCLOPENTYLMETHYL)-PHENYL]-PROPIONIC ACID
2-[4-[(2-ketocyclopentyl)methyl]phenyl]propionic acid
A-METHYL-4-[(2-OXOCYCLOPENTYL)METHYL]BENZENEACETIC ACID
α-methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid
2-[4-[(2-Oxocyclopentan-1-yl)methyl]phenyl]propionic acid
Benzeneacetic acid, a-Methyl-4-[(2-oxocyclopentyl)Methyl]-
ALPHA-METHYL-4-[(2-OXOCYCLOPENTYL)METHYL]BENZENEACETIC ACID
Benzeneacetic acid, a-methyl-4-[(2-oxocyclopentyl)methyl]-(9CI)
α-Methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid, Koloxo
[EINECS(EC#)]

1806241-263-5
[Molecular Formula]

C15H18O3
[MDL Number]

MFCD00864331
[Molecular Weight]

246.3
[MOL File]

68767-14-6.mol
Chemical PropertiesBack Directory
[Melting point ]

108.5-111°
[Boiling point ]

bp0.3 190-195°
[density ]

1.182±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

solid
[pka]

4.39±0.10(Predicted)
[color ]

White to Off-White
[Merck ]

14,5589
[InChI]

InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
[InChIKey]

YMBXTVYHTMGZDW-UHFFFAOYSA-N
[SMILES]

C(C1CCCC1=O)C1C=CC(C(C)C(=O)O)=CC=1
[CAS DataBase Reference]

68767-14-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2918.99.3000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester-->Cyclopentanecarboxylic acid-->Ethyl phenylpropiolate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid(68767-14-6).msds
Hazard InformationBack Directory
[Uses]

antiinflammatory, analgesic
[Definition]

ChEBI: A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted to its active trans-alcohol metabolite following ora administration.
[Synthesis]

Ethyl 2-oxocyclopentanecarboxylate and potassium hydroxide in dimethylformamide were reacted with ethyl 2-(4-chloro-phenyl)propionate at 80 °C for 2 h. The product obtained was reacted with 47% hydrobromic acid and hydrolyzed and decarboxylated to give lo
Spectrum DetailBack Directory
[Spectrum Detail]

Loxoprofen(68767-14-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

68767-14-6(sigmaaldrich)
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