Dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
[CAS# 86880-83-3]

Identification

• Name: Dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
• Synonyms: 2,6-Ddicpp; 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine; Dhp-itc
• Molecular Formula: C₁₈H₁₈N₂O₄S
• Molecular Weight: 358.41
• CAS Registry Number: 86880-83-3
• SMILES: O=C(OC)\C1=C(\N/C(=C(/C(=O)OC)C1c2ccccc2/N=C=S)C)C
• InChI: 1S/C18H18N2O4S/c1-10-14(17(21)23-3)16(15(11(2)20-10)18(22)24-4)12-7-5-6-8-13(12)19-9-25/h5-8,16,20H,1-4H3
• InChIKey: KFNCOOZSSXYNNF-UHFFFAOYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 493.725°C at 760 mmHg (Cal.)
• Flash point: 252.396°C (Cal.)