111478-86-5

Basic information

• Product Name: 4-Oxo Etodolac
• Synonyms: 1,8-Diethyl-4-oxo-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic Acid;4-Oxo Etodolac;1,8-Diethyl-4-oxo-1,3,4,9-tetrahydro-pyrano[3,4-β]indole-1-acetic Acid
• CAS NO: 111478-86-5
• Molecular Formula: C17H19NO4
• Molecular Weight: 301.34
• Product Categories: Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Heterocycles
• Mol File: 111478-86-5.mol
• Article Data: 3

Chemical Properties

• Melting Point: 195-197°C
• Boiling Point: 573.9°C at 760 mmHg
• Flash Point: 300.9°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 5.19E-14mmHg at 25°C
• Refractive Index: 1.608
• PKA: 4.15±0.10(Predicted)
• CAS DataBase Reference: 4-Oxo Etodolac(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Oxo Etodolac(111478-86-5)
• EPA Substance Registry System: 4-Oxo Etodolac(111478-86-5)

Safety Data

• Hazardous Substances Data: 111478-86-5(Hazardous Substances Data)

Usage

Chemical Properties

White to Off-White Solid

Uses

A metabolite of Etodolac (E933090).

InChI:InChI=1/C17H19NO4/c1-3-10-6-5-7-11-14-12(19)9-22-17(4-2,8-13(20)21)16(14)18-15(10)11/h5-7,18H,3-4,8-9H2,1-2H3,(H,20,21)

Upstream product

• 111478-84-3 4-oxoetodolac methyl ester 
• 41340-25-4 etodolac 
• 22867-74-9 7-ethyl-1H-indole 
• 111478-90-1 7-ethyl-α-oxo-1H-indole-3-acetic acid ethyl ester 
• 111478-94-5 β-aminotryptophol 
• 111478-96-7 β-formamidotryptophol 
• 111478-93-4 α-amino-7-ethyl-1H-indole-3-acetic acid ethyl ester 
• 111478-92-3 7-ethyl-α-(hydroxyimino)-1H-indole-3-acetic acid ethyl ester 
• 111478-95-6 7-ethyl-β-(formylamino)-1H-indole-3-ethanol formate 
• 111479-01-7 4-hydroxyetodolac methyl ester 
• 111478-81-0 4-aminoetodolac methyl ester 
• 584-08-7 potassium carbonate 

Relevant articles and documents

Regioselective biomimetic oxidation of etodolac with iodosylbenzene catalyzed by halogenated and perhalogenated metalloporphyrins in dichloromethane

The biomimetic oxidation of etodolac, an anti-inflammatory drug (1)with iodosylbenzene catalyzed by 5,10,15,20-tetraarylporphyrinatoiron(III) chlorides TAPFe(III)Cl (7a - e) in dichloromethane gives 4-hydroxyetodolac (6) and 4-oxoetodolac (5) regioselecti

Substituted 1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acids

Indole derivatives characterized by having a 1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid nucleus bearing a substituent in position 1 and 4. The nucleus may be optionally substituted at position 8. The derivatives are useful anti-inflammatory and a