6,13-Bis[3-[(4-prop-2-ynoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone | 1219115-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6,13-Bis[3-[(4-prop-2-ynoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• 英文别名: 6,13-bis[3-[(4-prop-2-ynoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• CAS: 1219115-59-9
• 化学式: C₄₀H₃₆N₄O₆
• 分子量: 668.749
• InChiKey: GUWFQKAYHNZFPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  50
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6,13-Bis[3-[(4-prop-2-ynoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone 在 盐酸 、 ammonium hexafluorophosphate 作用下， 以 甲醇 、 丙酮 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  pH-Controlled Intramolecular Charge-Transfer Behavior in Bistable [3]Rotaxane

  摘要：

  Two [3]rotaxanes with an electron-rich pyrene moiety at the wheel and an electron-deficient naphthalenediimide (NDI) unit in the middle of the axle were prepared through "click chemistry", in which the intramolecular charge-transfer (ICT) process occurred between the pyrene moiety and the NDI unit, and the addition of acid and/or base can adjust the intensity of ICT.

  DOI：

  10.1021/ol100321k
• 作为产物：
  描述：

  、 1,4,5,8-萘四甲酸酐 在 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 以74%的产率得到6,13-Bis[3-[(4-prop-2-ynoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
  参考文献：
  名称：

  pH-Controlled Intramolecular Charge-Transfer Behavior in Bistable [3]Rotaxane

  摘要：

  Two [3]rotaxanes with an electron-rich pyrene moiety at the wheel and an electron-deficient naphthalenediimide (NDI) unit in the middle of the axle were prepared through "click chemistry", in which the intramolecular charge-transfer (ICT) process occurred between the pyrene moiety and the NDI unit, and the addition of acid and/or base can adjust the intensity of ICT.

  DOI：

  10.1021/ol100321k

文献信息

• pH-Controlled Intramolecular Charge-Transfer Behavior in Bistable [3]Rotaxane
  作者：Qiao Jiang、Heng-Yi Zhang、Min Han、Zhi-Jun Ding、Yu Liu

  DOI：10.1021/ol100321k

  日期：2010.4.16

  Two [3]rotaxanes with an electron-rich pyrene moiety at the wheel and an electron-deficient naphthalenediimide (NDI) unit in the middle of the axle were prepared through "click chemistry", in which the intramolecular charge-transfer (ICT) process occurred between the pyrene moiety and the NDI unit, and the addition of acid and/or base can adjust the intensity of ICT.