Benzquinamide
[CAS# 63-12-7]

Identification

• Name: Benzquinamide
• Synonyms: Acetic Acid [3-(Diethylamino-Oxomethyl)-9,10-Dimethoxy-2,3,4,6,7,11B-Hexahydro-1H-Pyrido[2,1-A]Isoquinolin-2-Yl] Ester; Acetic Acid [3-(Diethylcarbamoyl)-9,10-Dimethoxy-2,3,4,6,7,11B-Hexahydro-1H-Pyrido[2,1-A]Isoquinolin-2-Yl] Ester; [3-(Diethylcarbamoyl)-9,10-Dimethoxy-2,3,4,6,7,11B-Hexahydro-1H-Pyrido[2,1-A]Isoquinolin-2-Yl] Ethanoate
• Molecular Formula: C₂₂H₃₂N₂O₅
• Molecular Weight: 404.51
• CAS Registry Number: 63-12-7
• SMILES: C3=C2C1N(CC(C(N(CC)CC)=O)C(C1)OC(C)=O)CCC2=CC(=C3OC)OC
• InChI: 1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3
• InChIKey: JSZILQVIPPROJI-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 531.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 274.9±30.1°C (Cal.)

References

• (1): Atsushi Ishikawa, Yoshihide Nakao, Hirofumi Sato and Shigeyoshi Sakaki. Pd(ii)-promoted direct cross-coupling reaction of arenes via highly regioselective aromatic C–H activation: a theoretical study, Dalton Trans., 2010, 39, 3279.