2-(2-Fluoro[1,1'-biphenyl]-4-yl)-2,3-dimethylbutanedioic Acid Dimethyl Ester

CAS: 42771-81-3

Ref. TR-F588768

Product Information

• Name: 2-(2-Fluoro[1,1'-biphenyl]-4-yl)-2,3-dimethylbutanedioic Acid Dimethyl Ester
• Synonyms: Flurbiprofen Impurity 1
• Brand: TRC
• Description: Applications 2-(2-Fluoro[1,1'-biphenyl]-4-yl)-2,3-dimethylbutanedioic Acid Dimethyl Ester is an intermediate in the synthesis of 2-(2-Fluoro[1,1'-biphenyl]-4-yl)-2,3-dimethylbutanedioic acid which is an impurity of Flurbiprofen (F598700), an anti-inflammatory used as an analgesic. Flurbiprofen impurity B.References Beaulieu, N., et al.: Drug Develop. Industrial Pharmacy, 17, 1843 (1991)

Chemical properties

• Molecular weight: 433.864
• Formula: C₁₅H₁₆ClN₃O₄·CH₄O₃S
• Color/Form: Neat
• InChI: InChI=1S/C15H16ClN3O4.CH4O3S/c1-21-8-3-4-10-11(5-8)19-14(13(16)18-10)23-9-6-12(17-7-9)15(20)22-2;1-5(2,3)4/h3-5,9,12,17H,6-7H2,1-2H3;1H3,(H,2,3,4)/t9-,12+;/m1./s1
• InChI key: InChIKey=CCZFBHQUONFINY-KATIXKQHSA-N
• SMILES: COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2Cl)CN1.CS(=O)(=O)O