1,4,8,12-tetraazacyclotetradecane-5,7-dione | 1206607-78-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 1,4,8,12-tetraazacyclotetradecane-5,7-dione
• CAS: 1206607-78-4
• 化学式: C₁₀H₂₀N₄O₂
• 分子量: 228.294
• InChiKey: UZVCENUESQRLRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.81
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  82.26
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,4,8,12-tetraazacyclotetradecane-5,7-dione 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到1,4,7,11-四氮杂环十四烷
  参考文献：
  名称：

  A convenient synthesis of isocyclam and [16]aneN4 and the photophysics of their dicyanochromium(III) complexes

  摘要：

  The syntheses of the tetraazamacrocyclic ligands 1,4,7,11-tetraazacyclotetradecane (isocyclam) and 1,5,9,13-tetraazacyclohexadecane ([16]aneN(4)) in two steps starting from the corresponding tetraamine and diethylmalonate is reported. The trans-dicyanochromium(III) complexes, trans-[Cr(isocyclam)(CN)(2)]PF6 and trans-[Cr([16]aneN(4))(CN)(2)]PF6 have also been prepared. Both are E-2(g) emitters with 0-0 band emission wavelengths at 721.2 and 704.8 nm, respectively. The isocyclam complex has a room temperature excited state lifetime of 147 mu s in aqueous solution which increases to 215 mu s upon macrocyclic N-H deuteration, whereas the corresponding lifetime of the [16]aneN4 complex is 25 mu s and is unaffected by macrocyclic N-H deuteration. The implications of the temperature dependence of the excited state lifetimes are also presented. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.020
• 作为产物：
  描述：

  N'-[2-(2-氨基乙胺基)乙基]丙烷-1,3-二胺 、 丙二酸二乙酯 以 乙醇 为溶剂， 以20%的产率得到1,4,8,12-tetraazacyclotetradecane-5,7-dione
  参考文献：
  名称：

  A convenient synthesis of isocyclam and [16]aneN4 and the photophysics of their dicyanochromium(III) complexes

  摘要：

  The syntheses of the tetraazamacrocyclic ligands 1,4,7,11-tetraazacyclotetradecane (isocyclam) and 1,5,9,13-tetraazacyclohexadecane ([16]aneN(4)) in two steps starting from the corresponding tetraamine and diethylmalonate is reported. The trans-dicyanochromium(III) complexes, trans-[Cr(isocyclam)(CN)(2)]PF6 and trans-[Cr([16]aneN(4))(CN)(2)]PF6 have also been prepared. Both are E-2(g) emitters with 0-0 band emission wavelengths at 721.2 and 704.8 nm, respectively. The isocyclam complex has a room temperature excited state lifetime of 147 mu s in aqueous solution which increases to 215 mu s upon macrocyclic N-H deuteration, whereas the corresponding lifetime of the [16]aneN4 complex is 25 mu s and is unaffected by macrocyclic N-H deuteration. The implications of the temperature dependence of the excited state lifetimes are also presented. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.020