trans-6-(2-naphthalenylamino)-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-13-amino | 377089-08-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: trans-6-(2-naphthalenylamino)-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-13-amino
• CAS: 377089-08-2
• 化学式: C₂₃H₃₈N₆
• 分子量: 398.595
• InChiKey: HXFXHAFQYTYTCK-YHBQERECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.78
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  86.17
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  trans-6-(2-naphthalenylamino)-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-13-amino 、 sodium perchlorate 、 copper(II) acetate monohydrate 以 乙醇 为溶剂， 生成 ((trans-6-(2-naphthalenylmethylamino)-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-13-amine)copper(II)) perchlorate hydrate
  参考文献：
  名称：

  Photoinduced Electron Transfer and Electronic Energy Transfer in Naphthyl-Appended Cyclams

  摘要：

  A series of novel macrocyclic tetraaza ligands that incorporate a naphthalene moiety as a photoactive chromophore have been prepared and structurally characterized as their Cu(II) complexes. Variable-temperature photophysical studies have concluded that the luminescence quenching evident in the Cu(H) complexes is due to intramolecular electronic energy transfer (EET). In their free-base forms, these ligands undergo reductive luminescence quenching via photoinduced electron transfer (PET) reactions, with proximate amine lone pairs acting as electron donors. Consequently, the emission behavior can be modulated by variations in pH and/or the presence of other Lewis acids such as Zn(H).

  DOI：

  10.1021/ic0102586