苯喹胺
[CAS# 63-12-7]

基本信息

• 产品名称: 苯喹胺
• 英文名: Benzquinamide
• 别名: 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
• 分子式: C₂₂H₃₂N₂O₅
• 分子量: 404.51
• CAS 登录号: 63-12-7
• 分子行输入简码 SMILES: C3=C2C1N(CC(C(N(CC)CC)=O)C(C1)OC(C)=O)CCC2=CC(=C3OC)OC
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: JSZILQVIPPROJI-UHFFFAOYSA-N

物理化学性质

• 密度: 1.2±0.1g/cm³ （计算值）
• 沸点: 531.0±50.0°C at 760 mmHg （计算值）
• 闪点: 274.9±30.1°C （计算值）

参考文献

• (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.