4-Methyl-3-nitrobenzoic Acid-D6

CAS: 96-98-0

Ref. TR-B495306

Product Information

• Name: 4-Methyl-3-nitrobenzoic Acid-D6
• Synonyms: 2,3,6-trideuterio-5-nitro-4-(trideuteriomethyl)benzoic acid, 2-Nitrotoluene-4-Carboxylic Acid, 3-Nitro-4-Methyl Benzoic Acid, 3-Nitro-4-Methylbenzoic Acid, 3-Nitro-4-methylbenzoic aicd, 3-Nitro-p-toluic acid, 3-Nitro-p-toluylsure, 4-Methy-3-nitrobenzoic acid, 4-Methyl-3-Nitro-Benzoicaci, 4-Methyl-3-Nitrobenzoate, 4-Methyl-3-Nitrobenzoic Acid 3-Nitro-4-Methylbenzoic Acid, 4-Methyl-3-nitrobenzoic, 4-Methyl-3-nitrobenzoicacid,99%, Akos Bbs-00007715, Benzoic acid, 4-methyl-3-nitro-, NSC 50659, Rarechem Al Bo 1292, p-Toluic acid, 3-nitro-

Description

Applications 4-Methyl-3-nitrobenzoic Acid-D6 is an intermediate in the synthesis of Nilotinib-d6 (N465303), which is the labeled analogue of Nilotinib (N465300), which might be useful in treatment of chronic myelogenous leukemia.
References Corbin, A., et al.: J. Biol. Chem., 277, 32214(2002), Golemovic, M., et al.: Clin. Cancer Res., 11, 4941 (2005), Gleixner, K., et al.: Blood, 107, 752 (2006), Nicolini, F., et al.: Leukemia, 20, 1061 (2006),

• Brand: TRC

Chemical properties

• Molecular weight: 187.183
• Formula: C₈D₆HNO₄
• Color/Form: Neat
• InChI: InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)/i1D3,2D,3D,4D
• SMILES: [2H]c1c([2H])c(C([2H])([2H])[2H])c([N+](=O)[O-])c([2H])c1C(=O)O