| 1215284-92-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1215284-92-6
• 化学式: C₁₅H₁₂F₅O₂P
• 分子量: 350.225
• InChiKey: COOSGIKGHPDXGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  吡咯 、 在 三氟化硼乙醚 作用下， 反应 0.17h， 以65%的产率得到2-[[2-(2,3,4,5,6-pentafluorophenyl)-3-(1H-pyrrol-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[c]phosphol-1-yl]methyl]-1H-pyrrole
  参考文献：
  名称：

  Remarkable Effects of P-Perfluorophenyl Group on the Synthesis of Core-Modified Phosphaporphyrinoids and Phosphadithiasapphyrin

  摘要：

  P,X,N-2-type phosphaporphyrins and phosphacalixphyrins (X = N, S) bearing a perfluorophenyl (C6F5) group at the core phosphorus atom were prepared in high overall yield from 1-perfluorophenyl-2,5-di(ethoxycarbonyl)phosphole as a common starting material. In addition, P-C6F5 P,S-2,N-2-type sapphyrin was successfully prepared as the first example of ring-expanded phosphorus-containing porphyrin.

  DOI：

  10.1021/ol100114j
• 作为产物：
  描述：

  diethyl 2-(2,3,4,5,6-pentafluorophenyl)-5,6-dihydro-4H-cyclopenta[c]phosphole-1,3-dicarboxylate 在 二异丁基氢化铝 作用下， 以 正己烷 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  Remarkable Effects of P-Perfluorophenyl Group on the Synthesis of Core-Modified Phosphaporphyrinoids and Phosphadithiasapphyrin

  摘要：

  P,X,N-2-type phosphaporphyrins and phosphacalixphyrins (X = N, S) bearing a perfluorophenyl (C6F5) group at the core phosphorus atom were prepared in high overall yield from 1-perfluorophenyl-2,5-di(ethoxycarbonyl)phosphole as a common starting material. In addition, P-C6F5 P,S-2,N-2-type sapphyrin was successfully prepared as the first example of ring-expanded phosphorus-containing porphyrin.

  DOI：

  10.1021/ol100114j