5,6,8-Trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one | 25893-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5,6,8-Trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
• CAS: 25893-61-2
• 化学式: C₁₅H₁₀Cl₃NO
• 分子量: 326.609
• InChiKey: PHWHPHUZYVJCSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (2E)-3-phenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide 在 PPA 作用下， 反应 8.0h， 生成 5,6,8-Trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1H)-one

  摘要：

  In the quinolone ring system of the title compound, C15H10Cl3NO, the pyridone moiety assumes a slightly twisted boat conformation. The plane of the benzene ring is twisted at an angle of 11.9(1)degrees with respect to the pyridone ring, indicating the slight non-planarity of the system. The molecules are stabilized by NH H...O-type hydrogen bonds in addition to van der Waals interactions.

  DOI：

  10.1107/s0108270197008810

文献信息

• 5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1<i>H</i>)-one
  作者：R. Thirumurugan、S. Shanmuga Sundara Raj、P. Murugan、V. T. Ramakrishnan、K. K. Chacko

  DOI：10.1107/s0108270197008810

  日期：1997.12.15

  In the quinolone ring system of the title compound, C15H10Cl3NO, the pyridone moiety assumes a slightly twisted boat conformation. The plane of the benzene ring is twisted at an angle of 11.9(1)degrees with respect to the pyridone ring, indicating the slight non-planarity of the system. The molecules are stabilized by NH H...O-type hydrogen bonds in addition to van der Waals interactions.