2,6-Dimethyl-4-(3-Nitro-Phenyl)-Pyridine-3,5-Dicarboxylic Acid Dimethyl Ester
[CAS# 76258-20-3]

Identification

• Name: 2,6-Dimethyl-4-(3-Nitro-Phenyl)-Pyridine-3,5-Dicarboxylic Acid Dimethyl Ester
• Synonyms: 2,6-Dimethyl-4-(3-Nitrophenyl)Pyridine-3,5-Dicarboxylic Acid Dimethyl Ester; Nicardipine M (Dehydro-Desbenzylmethylaminoethyl, Methyl Ester); Nimodipine M (Dehydro-Desisopropyl-Desmethoxyethyl, Methyl Ester)
• Molecular Formula: C₁₇H₁₆N₂O₆
• Molecular Weight: 344.32
• CAS Registry Number: 76258-20-3
• EINECS: 278-405-9
• SMILES: C2=C(C1=C(C(=NC(=C1C(OC)=O)C)C)C(OC)=O)C=CC=C2[N+]([O-])=O
• InChI: 1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8H,1-4H3
• InChIKey: WLSSRGYMMSQMGL-UHFFFAOYSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 453.759°C at 760 mmHg (Cal.)
• Flash point: 228.225°C (Cal.)

References

• (1): K. R. Rowan and E. M. Holt. Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5 -dicarboxylate, Acta Cryst. (1996). C52, 1565-1570