piperidinomaleonitrile | 13204-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: piperidinomaleonitrile
• 英文别名: piperidino-butenedinitrile；Piperidino-butendinitril；Piperidino-1,2-dicyan-aethylen；(E)-2-piperidin-1-ylbut-2-enedinitrile
• CAS: 13204-01-8
• 化学式: C₉H₁₁N₃
• 分子量: 161.206
• InChiKey: WSHPZELRMKMKKN-RUDMXATFSA-N

物化性质

• 沸点：
  285.2±33.0 °C(Predicted)
• 密度：
  1.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  50.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  piperidinomaleonitrile 在 Magnesium amylate 作用下， 以 戊醇 为溶剂， 反应 4.0h， 生成 magnesium tetrapiperidino porphyrazine
  参考文献：
  名称：

  Synthesis and photodynamic activity of some tetraazoporphyrin derivatives

  摘要：

  Photodynamic therapy (PDT) is a treatment modality for a number of human neoplasms. The drug preparation most widely used in current clinical trials is photofrin. Photofrin lacks definite structure and as a result the interpretation of its pharmacokinetic data is difficult. Thus the development of new sensitizers of known structure such as the phthalocyanines and naphthalocyanines has been proposed. In our approach, we have studied the use of tetraazaporphyrins (porphyrazines) as sensitizers. This class of sensitizers has received very little attention. A number of porphyrazines were synthesized via the cyclization of tricyanovinyl amines and dinitrile amines in pentanol solution of magnesium oxide. These porphyrazines were converted to their respective zinc chelates and tested for their stability in acidic media and for their ability to photoinactivate cells in culture. Results indicate that these porphyrazines show promise and must be investigated further for applications in PDT.

  DOI：

  10.1016/s0223-5234(97)84358-9
• 作为产物：
  描述：

  哌啶 、 丁烷-1,4-二胺 在 乙醚 作用下， 生成 piperidinomaleonitrile
  参考文献：
  名称：

  Moureu; Bongrand, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1914, vol. 158, p. 1095

  摘要：

  DOI：