Methyl 3-Nitrophthalate

CAS: 21606-04-2

Ref. TR-M323773

Información del producto

• Nombre: Methyl 3-Nitrophthalate
• Sinónimos: 2-Methoxycarbonyl-6-nitrobenzoic Acid, Methyl 2-Carboxy-3-nitrobenzoate, 1-Methyl 3-nitro-1,2-benzenedicarboxylate, 1-Methyl-3-nitrophthalate, 2-(Methoxycarbonyl)-6-Nitrobenzoic Acid, 3-Nitro-1,2-Benzenedi-Carboxylic Acid Monomethyl Ester, 3-nitro-2-Carboxyl methyl benzoate, Methyl 3-Nitro-2-Carboxyl Benzoate, Methyl-2-Carboxy-3-Nitrobenzoate, Phthalic acid, 3-nitro-, 1-methyl ester
• CAS: 21606-04-2

Descripción

Applications Methyl 3-Nitrophthalate is an intermediate in the synthesis of (αS)-3-Ethoxy-4-methoxy-α-[(methylsulfonyl)methyl]-N-[(1S)-1-phenylethyl]-benzenemethanamine which is an impurity of Apremilast (A729700), which is an oral phosphodiesterase 4 inhibitor used for treating psoriatic arthritis.
References Gan, E. et al.: BioDrugs, 27, 359 (2013); Pathan, E. et al.: Annal. Rheum. DIs., 72, 1475 (2013)

• Marca: TRC

Propiedades químicas

• Peso molecular: 306.32
• Fórmula: C₉H₇NO₆
• InChI: InChI=1S/C13H18N6O3/c1-18(2)6-16-13-14-4-8-12(17-13)19(7-15-8)11-3-9(21)10(5-20)22-11/h4,6-7,9-11,20-21H,3,5H2,1-2H3/b16-6+/t9-,10+,11+/m0/s1
• Clave InChI: InChIKey=BDHOALZAPOYTGB-PRCRKUHXSA-N
• SMILES: CN(C)/C=N/c1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1