| 776320-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• CAS: 776320-01-5
• 化学式: C₇₄H₉₀N₂O₁₂
• 分子量: 1199.53
• InChiKey: IGWTVDPUKCZRER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.77
• 重原子数：
  88.0
• 可旋转键数：
  9.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  171.12
• 氢给体数：
  1.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Photochromism of a spiropyran derivative of 1,3-calix[4]crown-5

  摘要：

  A new spiropyran derivative containing a calixcrown ring has been synthesised. Thermal conversion from merocyanine to the spiropyran form was studied in ethanol and in acetonitrile, and equilibrium and kinetic data were compared with those of the parent 6-nitrospiropyran. The kinetics of thermal decay of the merocyanine form of the calixcrown-spiropyran molecule shows a biexponential character in both solvents, while the decay is much slower in ethanol than in acetonitrile. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(02)00242-9
• 作为产物：
  描述：

  在 氢氧化钾 、 草酰氯 作用下， 以 乙醇 为溶剂， 反应 0.02h， 生成
  参考文献：
  名称：

  Photochromism of a spiropyran derivative of 1,3-calix[4]crown-5

  摘要：

  A new spiropyran derivative containing a calixcrown ring has been synthesised. Thermal conversion from merocyanine to the spiropyran form was studied in ethanol and in acetonitrile, and equilibrium and kinetic data were compared with those of the parent 6-nitrospiropyran. The kinetics of thermal decay of the merocyanine form of the calixcrown-spiropyran molecule shows a biexponential character in both solvents, while the decay is much slower in ethanol than in acetonitrile. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(02)00242-9