Isobutyl Methyl 2,6-Dimethyl-4-(2-Nitrophenyl)-3,5-Pyridinedicarboxylate
[CAS# 103026-83-1]

Identification

• Name: Isobutyl Methyl 2,6-Dimethyl-4-(2-Nitrophenyl)-3,5-Pyridinedicarboxylate
• Synonyms: Dehydro Nisoldipine
• Molecular Formula: C₂₀H₂₂N₂O₆
• Molecular Weight: 386.40
• CAS Registry Number: 103026-83-1
• SMILES: O=C(OCC(C)C)c1c(c(c(nc1C)C)C(=O)OC)c2ccccc2[N+]([O-])=O
• InChI: 1S/C20H22N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11H,10H2,1-5H3
• InChIKey: PCNPLNDGLOCZGS-UHFFFAOYSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 475.029°C at 760 mmHg (Cal.)
• Flash point: 241.089°C (Cal.)
• Refractive index: 1.558 (Cal.)

References

• (1): Hui Chen, Jing Luo, Lin-Lin Jing and Ru Jiang . 3-Isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate , Acta Cryst (2010). E66, o86Â Â