11-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]-N-[2-oxo-2-(4-tritylanilino)ethyl]undecanamide | 1052166-44-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 11-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]-N-[2-oxo-2-(4-tritylanilino)ethyl]undecanamide
• CAS: 1052166-44-5
• 化学式: C₅₄H₅₇N₃O₃
• 分子量: 796.065
• InChiKey: BQNFQKVFYPVZAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  60
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  17,20,23,26,29-Pentaoxa-3,11-diazatetracyclo[28.2.2.213,16.15,9]heptatriaconta-1(33),5(37),6,8,13,15,30(34),31,35-nonaene-4,10-dione 、 11-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]-N-[2-oxo-2-(4-tritylanilino)ethyl]undecanamide 、 7,7,8,8-四氰基对苯二醌二甲烷 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 11-[4-[1,1-dicyano-3-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-3-[4-(dimethylamino)phenyl]prop-1-en-2-yl]phenoxy]-N-[2-oxo-2-(4-tritylanilino)ethyl]undecanamide 、
  参考文献：
  名称：

  Charge Transfer Chromophore-Stopped [2]Rotaxane through [2 + 2] Cycloaddition

  摘要：

  Three charge-transfer chromophore-terminated [2]rotaxanes were synthesized, using a high-yield [2 + 2]cycloaddition reaction in apolar solvent at room temperature. Two solvent-driving molecular shuttles were constructed, which exhibit distinct conformations in different solvent as a result of the shuttling movement of the macrocycle.

  DOI：

  10.1021/jo8014566
• 作为产物：
  描述：

  C₄₄H₄₇IN₂O₃ 、 4-二甲基氨基苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以75%的产率得到11-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]-N-[2-oxo-2-(4-tritylanilino)ethyl]undecanamide
  参考文献：
  名称：

  Charge Transfer Chromophore-Stopped [2]Rotaxane through [2 + 2] Cycloaddition

  摘要：

  Three charge-transfer chromophore-terminated [2]rotaxanes were synthesized, using a high-yield [2 + 2]cycloaddition reaction in apolar solvent at room temperature. Two solvent-driving molecular shuttles were constructed, which exhibit distinct conformations in different solvent as a result of the shuttling movement of the macrocycle.

  DOI：

  10.1021/jo8014566

文献信息

• Charge Transfer Chromophore-Stopped [2]Rotaxane through [2 + 2] Cycloaddition
  作者：Weidong Zhou、Jialiang Xu、Haiyan Zheng、Huibiao Liu、Yuliang Li、Daoben Zhu

  DOI：10.1021/jo8014566

  日期：2008.10.3

  Three charge-transfer chromophore-terminated [2]rotaxanes were synthesized, using a high-yield [2 + 2]cycloaddition reaction in apolar solvent at room temperature. Two solvent-driving molecular shuttles were constructed, which exhibit distinct conformations in different solvent as a result of the shuttling movement of the macrocycle.