trans-1-[9-(10-cyanoanthryl)]-2-(4-cyanophenyl)ethylene | 1253697-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: trans-1-[9-(10-cyanoanthryl)]-2-(4-cyanophenyl)ethylene
• 英文别名: 10-[(E)-2-(4-cyanophenyl)ethenyl]anthracene-9-carbonitrile
• CAS: 1253697-22-1
• 化学式: C₂₄H₁₄N₂
• 分子量: 330.389
• InChiKey: FIVBFYSOBKRCPO-BUHFOSPRSA-N

物化性质

• 熔点：
  268-270 °C(Solvent: Hexane; Dichloromethane)
• 沸点：
  603.2±34.0 °C(predicted)
• 密度：
  1.25±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-1-[9-(10-cyanoanthryl)]-2-(4-cyanophenyl)ethylene 、 异丙醇胺 在 potassium carbonate 作用下， 以 乙二醇 、 甘油 为溶剂， 反应 72.0h， 生成 trans-1-[9-(10-cyanoanthryl)]-2-[4-(5-methyl-2-oxazoline)phenyl]ethylene
  参考文献：
  名称：

  The synthesis and spectral properties of new DNA binding ligands

  摘要：

  Two new ligands based on anthracene or carbazole planar skeletons, and a phenyloxazoline moiety linked by a vinyl bridge are synthesized as potential DNA-interacting drugs. Their spectral characteristics and DNA binding affinity are assessed. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.07.180
• 作为产物：
  描述：

  (4-氰基苄基)亚磷酸二乙酯 、 9-cyano-10-anthracenocarboxaldehyde 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.17h， 以65%的产率得到trans-1-[9-(10-cyanoanthryl)]-2-(4-cyanophenyl)ethylene
  参考文献：
  名称：

  The synthesis and spectral properties of new DNA binding ligands

  摘要：

  Two new ligands based on anthracene or carbazole planar skeletons, and a phenyloxazoline moiety linked by a vinyl bridge are synthesized as potential DNA-interacting drugs. Their spectral characteristics and DNA binding affinity are assessed. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.07.180

文献信息

• The synthesis and spectral properties of new DNA binding ligands
  作者：Agata Głuszyńska、Kamila Bajor、Izabella Czerwińska、Dominika Kalet、Bernard Juskowiak

  DOI：10.1016/j.tetlet.2010.07.180

  日期：2010.10

  Two new ligands based on anthracene or carbazole planar skeletons, and a phenyloxazoline moiety linked by a vinyl bridge are synthesized as potential DNA-interacting drugs. Their spectral characteristics and DNA binding affinity are assessed. (C) 2010 Published by Elsevier Ltd.