4,5,6,8,9-pentachloropyrimido[1,2-a][1,8]naphthyridin-10-one | 850417-66-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4,5,6,8,9-pentachloropyrimido[1,2-a][1,8]naphthyridin-10-one
• 英文别名: 4,5,6,8,9-Pentachloro-10H-pyrimido[1,2-a][1,8]naphthyridin-10-one
• CAS: 850417-66-2
• 化学式: C₁₁H₂Cl₅N₃O
• 分子量: 369.421
• InChiKey: NWODMHAOOOKEHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1H-pyrimido[1,2-a][1,8]naphthyridine-4,10-dione 在 五氯化磷 、 三氯氧磷 作用下， 反应 18.0h， 以85%的产率得到4,5,6,8,9-pentachloropyrimido[1,2-a][1,8]naphthyridin-10-one
  参考文献：
  名称：

  4,5,6,8,9-Pentachloropyrimido[1,2-a][1,8]naphthyridin-10-one

  摘要：

  The title compound, C11H2Cl5N3O, crystallizes in the monoclinic system with two molecules in the asymmetric unit. The molecules are chemically identical but have different structural parameters. In the three-dimensional packing, the molecules are arranged in dimers that are connected by slipped pi-pi stacking, and these dimers are connected to one another through several C - H ... O and Cl ... Cl interactions.

  DOI：

  10.1107/s0108270104031713

文献信息

• 4,5,6,8,9-Pentachloropyrimido[1,2-<i>a</i>][1,8]naphthyridin-10-one
  作者：Adailton J. Bortoluzzi、Antonio C. Joussef、Luiz E. Silva、Ricardo A. Rebelo

  DOI：10.1107/s0108270104031713

  日期：2005.1.15

  The title compound, C11H2Cl5N3O, crystallizes in the monoclinic system with two molecules in the asymmetric unit. The molecules are chemically identical but have different structural parameters. In the three-dimensional packing, the molecules are arranged in dimers that are connected by slipped pi-pi stacking, and these dimers are connected to one another through several C - H ... O and Cl ... Cl interactions.