Dimethyl 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
[CAS# 87240-31-1]

Identification

• Name: Dimethyl 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
• Synonyms: 2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(o-difluoromethylthiophenyl)-1,4-dihydropyridine; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, dimethyl ester
• Molecular Formula: C₁₈H₁₉F₂NO₄S
• Molecular Weight: 383.41
• CAS Registry Number: 87240-31-1
• SMILES: O=C(OC)\C1=C(\N/C(=C(/C(=O)OC)C1c2ccccc2SC(F)F)C)C
• InChI: 1S/C18H19F2NO4S/c1-9-13(16(22)24-3)15(14(10(2)21-9)17(23)25-4)11-7-5-6-8-12(11)26-18(19)20/h5-8,15,18,21H,1-4H3
• InChIKey: SXDFGSZLXVWKIJ-UHFFFAOYSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 436.421°C at 760 mmHg (Cal.)
• Flash point: 217.74°C (Cal.)