N-(4-((4-(dimethylamino)phenyl)ethynyl)phenyl)-2-(2-(4-tritylphenoxy)acetamido)acetamide | 1052166-56-9

• 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: N-(4-((4-(dimethylamino)phenyl)ethynyl)phenyl)-2-(2-(4-tritylphenoxy)acetamido)acetamide
• CAS: 1052166-56-9
• 化学式: C₄₅H₃₉N₃O₃
• 分子量: 669.823
• InChiKey: FGKGCVHXIDVJFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.67
• 重原子数：
  51.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  70.67
• 氢给体数：
  2.0
• 氢受体数：
  4.0

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 、 N-(4-((4-(dimethylamino)phenyl)ethynyl)phenyl)-2-(2-(4-tritylphenoxy)acetamido)acetamide 、 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， 以62%的产率得到N-[4-[1,1-dicyano-3-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-3-[4-(dimethylamino)phenyl]prop-1-en-2-yl]phenyl]-2-[[2-(4-tritylphenoxy)acetyl]amino]acetamide
  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：

  N-(4-iodophenyl)-2-(2-(4-tritylphenoxy)acetamido)acetamide 、 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 2.0h， 以75%的产率得到N-(4-((4-(dimethylamino)phenyl)ethynyl)phenyl)-2-(2-(4-tritylphenoxy)acetamido)acetamide
  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