2-[Cyano-(2-cyanophenyl)methyl]benzonitrile | 1053230-56-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[Cyano-(2-cyanophenyl)methyl]benzonitrile
• 英文别名: 2-[cyano-(2-cyanophenyl)methyl]benzonitrile
• CAS: 1053230-56-0
• 化学式: C₁₆H₉N₃
• 分子量: 243.268
• InChiKey: PNHPVVWKGLJUIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[Cyano-(2-cyanophenyl)methyl]benzonitrile 在 氢溴酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 以59%的产率得到C₁₆H₁₀BrN₃
  参考文献：
  名称：

  Aminoisoquinolines as colorimetric Hg2+ sensors: the importance of molecular structure and sacrificial base

  摘要：

  Here it is shown that 3-phenyl-2-amino isoquinoline acts as a simple mercury sensor. It is simple to synthesize. The molecule requires base/buffer to bind in a 1:1 stoichiometry with mercury ion. however. Otherwise, it acts as a sacrificial base, presumably to pick up a proton liberated during binding. This binding is characterized quantitatively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.03.063
• 作为产物：
  描述：

  邻氯苯腈 、 alpha-氰基-邻-苯乙腈 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以73%的产率得到2-[Cyano-(2-cyanophenyl)methyl]benzonitrile
  参考文献：
  名称：

  Aminoisoquinolines as colorimetric Hg2+ sensors: the importance of molecular structure and sacrificial base

  摘要：

  Here it is shown that 3-phenyl-2-amino isoquinoline acts as a simple mercury sensor. It is simple to synthesize. The molecule requires base/buffer to bind in a 1:1 stoichiometry with mercury ion. however. Otherwise, it acts as a sacrificial base, presumably to pick up a proton liberated during binding. This binding is characterized quantitatively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.03.063

文献信息

• Cascade Cyclization To Produce a Series of Fused, Aromatic Molecules
  作者：William J. Behof、Dongchuan Wang、Weijun Niu、Christopher B. Gorman

  DOI：10.1021/ol100656d

  日期：2010.5.7

  An efficient synthesis of fully aromatic, fused-ring, monoaza-acenes through a nucleophile initiated cascading cyclization is illustrated. Photophysical properties of the resulting molecules are reported.
• Aminoisoquinolines as colorimetric Hg2+ sensors: the importance of molecular structure and sacrificial base
  作者：Yanjun Wan、Weijun Niu、William J. Behof、Yifei Wang、Paul Boyle、Christopher B. Gorman

  DOI：10.1016/j.tet.2009.03.063

  日期：2009.5

  Here it is shown that 3-phenyl-2-amino isoquinoline acts as a simple mercury sensor. It is simple to synthesize. The molecule requires base/buffer to bind in a 1:1 stoichiometry with mercury ion. however. Otherwise, it acts as a sacrificial base, presumably to pick up a proton liberated during binding. This binding is characterized quantitatively. (C) 2009 Elsevier Ltd. All rights reserved.