104941-36-8

Basic information

• Product Name: 4-(2',4'-Dichlorobiphenylyl)-2-methyl-4-oxobutanoic acid
• Synonyms: 4-(2',4'-Dichlorobiphenylyl)-2-methyl-4-oxobutanoic acid
• CAS NO: 104941-36-8
• Molecular Formula: C17H14 Cl2 O3
• Molecular Weight: 0
• Mol File: 104941-36-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 501.4°Cat760mmHg
• Flash Point: 257°C
• Appearance: /
• Density: 1.324g/cm³
• CAS DataBase Reference: 4-(2',4'-Dichlorobiphenylyl)-2-methyl-4-oxobutanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2',4'-Dichlorobiphenylyl)-2-methyl-4-oxobutanoic acid(104941-36-8)
• EPA Substance Registry System: 4-(2',4'-Dichlorobiphenylyl)-2-methyl-4-oxobutanoic acid(104941-36-8)

Safety Data

• Hazardous Substances Data: 104941-36-8(Hazardous Substances Data)

Upstream product

• 33284-50-3 PCB 7 
• 4100-80-5 2-methylsuccinic anhydride 

Relevant articles and documents

QUANTITATIVE RELATIONS BETWEEN STRUCTURE AND ANTIINFLAMMATORY ACTIVITY OF ARYLOXOALKANOIC ACIDS

The antiinflammatory effect of a series of aryloxoalkanoic acids II and of their biphenyl derivatives III was examined by measuring the inhibition of the development of carageenan- and adjuvant-induced edemas.The quantitative relations between the antiinflammatory effect and physicochemical and structural parameters of the compounds tested were evaluated.The equations obtained by the method of regression analysis showed a significant linear dependence of both inhibitory activities on the lipophilicity of the compounds and a considerable effect of some structural changes as expressed by indicator variables.The antiinflammatory effect is especially enhanced in both tests by the presence of a cyclic substituent at the aromatic ring.The high antiinflammatory effect of biphenylyl derivatives III is paralleled by their prolonged action.The prolongation of the effect is most likely a result of a suitable biotransformation of acid III to an efficient metabolite.The structural requirements which resulted from both the regression analysis and from the hypothesis of biotransformation of acids III were utilized in the synthesis of suitably substituted biphenylyloxoalkanoic acids.By this approach derivatives IIIe-i were obtained some of which showed a high antiinflammatory and also protracted effect. 4-(2',4'-Difluorobiphenylyl)-4-oxo-2-methylbutanoic acid (VUFB 16066, Flobufen) was chosen for further preclinical development.