6-(3-Chlorophenyl)-3,9-dioxa-6-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione | 1428438-47-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6-(3-Chlorophenyl)-3,9-dioxa-6-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
• 英文别名: 6-(3-chlorophenyl)-3,9-dioxa-6-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
• CAS: 1428438-47-4
• 化学式: C₁₈H₁₆ClNO₄
• 分子量: 345.782
• InChiKey: RCXWOGOSSZJLCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氯苯胺 在 吡啶 、 4-二甲氨基吡啶 、 丙酸 作用下， 以 二氯甲烷 为溶剂， 生成 6-(3-Chlorophenyl)-3,9-dioxa-6-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
  参考文献：
  名称：

  Synthesis, crystal structure and biological activity of novel diester cyclophanes

  摘要：

  A series of novel diester cyclophanes was synthesized by esterification of 1,2-benzenedicarbonyl chloride with eight different diols under high dilution conditions. The structures of the compounds were verified by elemental analysis, H-1 nuclear magnetic resonance (NMR), IR spectroscopy and high resolution mass spectrometry (HRMS). The crystal structures of two compounds were characterized by single crystal X-ray diffractometry (XRD). All the new cyclophanes were evaluated for biological activities and the results showed that some of these compounds have low antibacterial or antifungal activities.

  DOI：

  10.1590/s0103-50532012005000045