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 | 1215284-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 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
• CAS: 1215284-93-7
• 化学式: C₂₃H₁₈F₅N₂P
• 分子量: 448.375
• InChiKey: QLNRGZZUWBVBNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  31.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5-bis(α-hydroxy-α-phenylmethyl)thiophene 、 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 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成
  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：

  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