5-(5-Tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)-2-methyl-3-naphthalen-1-ylphenol | 917073-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-(5-Tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)-2-methyl-3-naphthalen-1-ylphenol
• CAS: 917073-76-8
• 化学式: C₂₇H₃₀O₄
• 分子量: 418.533
• InChiKey: VEXGIJXGAGLPBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(5-Tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)-2-methyl-3-naphthalen-1-ylphenol 以 xylene 为溶剂， 生成 (2,2,4,4-Tetramethyl-3-oxopentyl) 3-hydroxy-4-methyl-5-naphthalen-1-ylbenzoate
  参考文献：
  名称：

  Color modulation for intramolecular charge-transfer-induced chemiluminescence of bicyclic dioxetanes bearing a 3-hydroxy-5-naphthylphenyl moiety in the coordination sphere

  摘要：

  Bicyclic dioxetanes 2a, 2b, and 3, bearing a 3-hydroxy-5-naphthylphenyl moiety underwent charge-transfer-induced decomposition with accompanying emission of light, the color of which changed from red to blue responding to a complex of crown ether with potassium t-butoxide used as a base. Furthermore, they afforded unusual chemiluminescence, the spectra of which displayed two peaks in some cases. It was observed for chemiluminescences in the coordination sphere with crown ether that their spectra did not coincide with the spectra of authentic emitters. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.047
• 作为产物：
  描述：

  5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-methyl-3-naphthalen-1-ylphenol 以 二氯甲烷 为溶剂， 生成 5-(5-Tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)-2-methyl-3-naphthalen-1-ylphenol
  参考文献：
  名称：

  Color modulation for intramolecular charge-transfer-induced chemiluminescence of bicyclic dioxetanes bearing a 3-hydroxy-5-naphthylphenyl moiety in the coordination sphere

  摘要：

  Bicyclic dioxetanes 2a, 2b, and 3, bearing a 3-hydroxy-5-naphthylphenyl moiety underwent charge-transfer-induced decomposition with accompanying emission of light, the color of which changed from red to blue responding to a complex of crown ether with potassium t-butoxide used as a base. Furthermore, they afforded unusual chemiluminescence, the spectra of which displayed two peaks in some cases. It was observed for chemiluminescences in the coordination sphere with crown ether that their spectra did not coincide with the spectra of authentic emitters. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.047