Methyl 2-(4-biphenylyl)propionate

CAS: 74647-99-7

Ref. TR-M296310

Información del producto

• Nombre: Methyl 2-(4-biphenylyl)propionate
• Sinónimos: alpha-Methyl-[1,1'-biphenyl]-4-acetic Acid Methyl Ester, Methyl alpha-(4-biphenylyl)propionate

Descripción

Applications Methyl 2-(4-biphenylyl)propionate is an intermediate in the synthesis of Biprofen which is a metabolite of Isopropylbiphenyl, a COX-2 selective inhibitor. Also an impurity of Flurbiprofen (F598700).
References Sullivan, H.R., et al.: Xenobiotica, 8, 333 (1978), Smith, W., et al.: J. Biol .Chem., 271, 33157 (1996),

• Marca: TRC

Propiedades químicas

• Peso molecular: 797.159
• Fórmula: C₁₆H₁₆O₂
• InChI: InChI=1S/C13H14I3N3O3.C4H10O4.CH4.H2O/c1-5(20)18-11-8(14)7(13(22)17-3)9(15)12(10(11)16)19(4)6(2)21;5-1-4(2-6)8-3-7;;/h1-4H3,(H,17,22)(H,18,20);4-7H,1-3H2;1H4;1H2
• Clave InChI: InChIKey=MNUHHJSHXOHDAU-UHFFFAOYSA-N
• SMILES: C.CNC(=O)c1c(I)c(NC(C)=O)c(I)c(N(C)C(C)=O)c1I.O.OCOC(CO)CO