| 924657-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 924657-33-0
• 化学式: C₃₃H₄₄O₁₁
• 分子量: 616.706
• InChiKey: JAZVUNRJSSVYDQ-UHFFFAOYSA-N

物化性质

• 熔点：
  91-92 °C
• 沸点：
  803.6±65.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  44.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  112.53
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Mechanical movement of the novel sailboat-shaped molecular switches and their unique fluorescence behaviours in rotation

  摘要：

  In this paper we focus on the design, synthesis, characterization, kinematic analysis and fluorescent properties of two novel sailboat-shaped self-complexes. Bearing a secondary ammonium rotor, acid and base can convert their decomplexation/recomplexation states that they are capable of mimicking the function played by a macroscopic electronic switch. The dynamic processes of these self-complexes have been investigated through H-1 NMR and emission spectra in solution. Owing to through-space energy transfer (FRET), one of them performing a reversible intensity in fluorescence during the dynamic motion. Such finding may be bode well for the future construction of luminescent chemosensors in supramolecular fields. (C) 2019 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2019.151248
• 作为产物：
  描述：

  2,5-二羟基苯甲醛 在 sodium tetrahydroborate 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 74.0h， 生成
  参考文献：
  名称：

  A Molecular Plug−Socket Connector

  摘要：

  A monocationic plug-socket connector that is composed, at the molecular level, of three components, (1) a secondary dialkylammonium center (CH2NH2+CH2), which can play the role of a plug toward dibenzo[24]crown-8 (DB24C8), (2) a rigid and conducting biphenyl spacer, and (3) 1,4-benzo-1,5-naphtho[36]crown-10 (BN36C10), capable of playing the role of a socket toward a 4,4'-bipyridinium dicationic plug, was synthesized and displays the ability to act as a plug-socket connector. The fluorescent signal changes associated with the 1,5-dioxynaphthalene unit of its BN36C10 portion were monitored to investigate the association of this plug-socket connector with the complementary socket and plug compounds. The results indicate that (1) the CH2NH2+CH2 part of the molecular connector can thread DB24C8 in a trivial manner and (2) the BN36C10 ring of the connector can be threaded by a 1,1'-dioctyl-4,4'-bipyridinium ion only after the CH2NH2+CH2 site is occupied by a DB24C8 ring. The two connections of the three-component assembly are shown to be controlled reversibly by acid/base and red/ox external inputs, respectively. The results obtained represent a key step for the design and construction of a self-assembling supramolecular system in which the molecular electron source can be connected to the molecular electron drain by a molecular elongation cable.

  DOI：

  10.1021/ja067739e