6-(4-Benzoyl-phenoxy)-1-dibenzo[b,f]azepin-5-yl-hexan-1-one | 133578-81-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 6-(4-Benzoyl-phenoxy)-1-dibenzo[b,f]azepin-5-yl-hexan-1-one
• CAS: 133578-81-1
• 化学式: C₃₃H₂₉NO₃
• 分子量: 487.598
• InChiKey: HBGYHTLKSAUZNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.71
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  46.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  亚氨基芪 以 1,2-二氯乙烷 为溶剂， 反应 3.5h， 生成 6-(4-Benzoyl-phenoxy)-1-dibenzo[b,f]azepin-5-yl-hexan-1-one
  参考文献：
  名称：

  Triplet energy transfer of the intramolecular system having benzophenone and dibenz[b,f]azepine at the chain ends: chain length dependence

  摘要：

  Intramolecular triplet-triplet energy transfer in a series of polymethylene chains having a benzophenone (BP) group as an energy donor and a dibenz[b,f]azepine (DBA) group as an energy acceptor (BP-O(CH2)nCO-DBA) has been studied by phosphorescence measurement and nanosecond laser photolysis. In a rigid solution and PMMA matrix, the quantum yield of triplet-triplet energy transfer is close to unity for the chain lengths shorter than n = 5. On the basis of the through-space mechanism of energy transfer, phosphorescence decay curves were analyzed by Dexter's equation in which the distribution of donor-acceptor distance was calculated by the conformational energy analysis. The results of the simulation were in fairly good agreement with the experimentally observed decay curves. The rate constant of triplet-triplet energy transfer is strongly dependent on the chain length, i.e., about one-tenth decrease per every methylene unit, and the rate is much smaller than that of singlet-singlet energy transfer.

  DOI：

  10.1021/j100162a009