1165-06-6 (2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二羧酸二乙酯,3,5-diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate)

CAS号:
1165-06-6
中文名称:
2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二羧酸二乙酯
英文名称:
3,5-diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
分子式:
C19H23NO4
分子量:
329.39022564888

2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二羧酸二乙酯(1165-06-6)名称与标识符

名称

中文别名:
2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二羧酸二乙酯;
英文别名:
Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate;3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-phenyl-, 3,5-diethyl ester;1,4-dihydro-2,4,4,6-tetramethylpyridine-3,5-dicarbonitrile;1,4-dihydro-2,6-dimethyl-4-phenyl-3,5-pyridinedicarboxylic acid 3,5-diethyl ester;2,4,4,6-Tetramethyl-3,5-dicyan-1,4-dihydropyridin;2,6-dimethyl;2,6-dimethyl-4-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester;3,5-Dicyan-2,4,4,6-tetramethyl-1,4-dihydro-pyridin;AC1L86DB;diethyl 1,4-dihydro-2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate;HMS1578F03;NSC279834;3,5-diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate;NS-00071;Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate;F0037-4531;Ethyl (4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate);1165-06-6;NSC63467;CS-0313307;BRN 0298941;SCHEMBL3027412;EU-0000289;Oprea1_065438;NSC 63467;4-Phenyl-3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridine;Diethyl 4-phenyl-1,4-dihydro-2,6-lutidine-3,5-dicarboxylate;Diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-PHENYL-, 3,5-DIETHYL ESTER;A803629;DTXSID50151399;Isocinchomeronic acid,4-dihydro-2,6-dimethyl-4-phenyl-, diethyl ester;3,5-DICARBETHOXY-2,6-DIMETHYL-4-PHENYL-1,4-DIHYDROPYRIDINE;UNII-E97NK89OBH;DIETHYL2,6-DIMETHYL-4-PHENYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE;BDBM50073961;MFCD00023119;SR-01000390740-1;Isocinchomeronic acid, 1,4-dihydro-2,6-dimethyl-4-phenyl-, diethylester;NSC-63467;DIETHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-PHENYL-3,5-PYRIDINEDICARBOXYLATE;E97NK89OBH;CHEMBL1099205;2,6-DIMETHYL-3,5-DIETHOXYCARBONYL-6-PHENYL-1,4-DIHYDROPYRIDINE;DIHYDRO-2,6-DIMETHYL-4-PHENYL-3,5-PYRIDINEDICARBOXYLIC ACID, DIETHYL ETHER, 1,4-;Oprea1_364749;AKOS000296758;EN300-26478975;FT-0624822;1,4-diethyl-2,6-dimethyl-4-phenyl-pyridine-3,5-dicarboxylate;AC-907/25005457;Diethyl-2,4-dihydro-3,5-pyridine dicarboxylate;5-22-04-00265 (Beilstein Handbook Reference);2,6-DIMETHYL-3,5-DICARBETHOXY-4-PHENYL-1,4-DIHYDROPYRIDINE;Isocinchomeronic acid, 1,4-dihydro-2,6-dimethyl-4-phenyl-, diethyl ester;SR-01000390740;3, 1,4-dihydro-2,6-dimethyl-4-phenyl-, diethyl ester;2,6-DIMETHYL-3,5-BIS(ETHOXYCARBONYL)-4-PHENYL-1,4-DIHYDROPYRIDINE;NCIOpen2_008050;Diethyl-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridine dicarboxylate;WLN: T6M DHJ B1 CVO2 DR& EVO2 F1;3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-PHENYL-, DIETHYL ESTER;1,4-Dihydro-2,6-dimethyl-4-phenyl-3,5-pyridinedicarboxylic acid diethyl ester;Z56791242;

标识符

MDL:
MFCD00023119
InChIKey:
VQZSDRXKLXBRHJ-UHFFFAOYSA-N
Inchi:
1S/C19H23NO4/c1-5-23-18(21)15-12(3)20-13(4)16(19(22)24-6-2)17(15)14-10-8-7-9-11-14/h7-11,17,20H,5-6H2,1-4H3
SMILES:
O(CC)C(C1=C(C)NC(C)=C(C(=O)OCC)C1C1C=CC=CC=1)=O

2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二羧酸二乙酯(1165-06-6)物化性质

实验特性

  • PSA : 64.63
  • 折射率 : 1.529
  • 沸点 : 449.6°Cat760mmHg
  • 蒸气压 : 0.0±1.1 mmHg at 25°C
  • 闪点 : 225.7°C
  • 密度 : 1.122

计算特性

  • 精确分子量 : 329.16279
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 7
  • 同位素质量 : 329.162708
  • 重原子数量 : 24
  • 复杂度 : 516
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 64.6

2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二羧酸二乙酯(1165-06-6)国际标准相关数据

EINECS:

2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二羧酸二乙酯(1165-06-6)参考资料

Reaxys RN:
PubChem CID: