N-(anthracen-9-ylmethyl)-2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanamine | 207386-41-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N-(anthracen-9-ylmethyl)-2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanamine
• CAS: 207386-41-2
• 化学式: C₂₇H₃₉N₅
• 分子量: 433.64
• InChiKey: NRHBODZYKZAUCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  51.36
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate 、 N-(anthracen-9-ylmethyl)-2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanamine 以 乙醇 、 水 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Controllable Intramolecular Motions That Generate Fluorescent Signals for a Metal Scorpionate Complex

  摘要：

  Simply by changing the pH value, the side chain of complex 1 can be reversibly moved between two positions. Coordination to the metal center through the nitrogen atom of the side chain at moderate pH values is accompanied by a decrease in fluorescence intensity (from IF =100% to IF =60%). A further decrease is observed upon deprotonation of the bound water molecule at higher pH (IF ≤2%). Therefore, 1 can be seen as a molecular three-position switch.

  DOI：

  10.1002/(sici)1521-3773(19980403)37:6<800::aid-anie800>3.0.co;2-u
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 N-(anthracen-9-ylmethyl)-2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanamine
  参考文献：
  名称：

  Controllable Intramolecular Motions That Generate Fluorescent Signals for a Metal Scorpionate Complex

  摘要：

  Simply by changing the pH value, the side chain of complex 1 can be reversibly moved between two positions. Coordination to the metal center through the nitrogen atom of the side chain at moderate pH values is accompanied by a decrease in fluorescence intensity (from IF =100% to IF =60%). A further decrease is observed upon deprotonation of the bound water molecule at higher pH (IF ≤2%). Therefore, 1 can be seen as a molecular three-position switch.

  DOI：

  10.1002/(sici)1521-3773(19980403)37:6<800::aid-anie800>3.0.co;2-u