hexakis(N-phenylcarbamoyl){(3)N,(4)N-bis(ethylamino)}pentaethylenehexamine | 144964-19-2

• 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: hexakis(N-phenylcarbamoyl){(3)N,(4)N-bis(ethylamino)}pentaethylenehexamine
• CAS: 144964-19-2
• 化学式: C₅₆H₆₈N₁₄O₆
• 分子量: 1033.25
• InChiKey: FCPDCYCOXLQVHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.95
• 重原子数：
  76.0
• 可旋转键数：
  27.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  235.68
• 氢给体数：
  10.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  hexakis(N-phenylcarbamoyl){(3)N,(4)N-bis(ethylamino)}pentaethylenehexamine 、 copper diacetate 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Non-classical urea oligomers. Part XIV. Some new properties of Cu(II) ion encircled by bis-branched oligomeric urea ligand: properties associated with catalysis for oxidative coupling of phenols

  摘要：

  Bis-branched urea oligomers (B-urea) mainly composed of hexakis(N-arylcarbamoyl)-[3N,4N-bis(ethylamino)]pentaethylenehexamine were obtained by the reaction of triethylenetetramine with 1,2-dibromoethane followed by ureanization with PhNCO. Under neutral conditions the B-urea readily forms stable mononuclear Cu(II) complexes in which a Cu(II) ion is almost fully surrounded by the B-urea ligand, as evidenced by magnetic susceptibility measurements. In the presence of oxygen, this Cu(II) complex (B-urea-Cu(II)) effectively catalyzes oxidative coupling of various substituted phenols. At the same time the Cu(II) ion is reduced to form the corresponding yellow B-urea-Cu(I) complex quantitatively. The Cu(I) state is highly stable for storage in the solid state but can readily be reacted with oxygen in a reversible manner in solution.

  DOI：

  10.1016/0304-5102(92)80100-u