| 1208339-58-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1208339-58-5
• 化学式: C₂₇H₂₃NO₃
• 分子量: 409.485
• InChiKey: DVIIFCXLGOHVRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.39
• 重原子数：
  31.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  50.52
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  以 甲苯 为溶剂， 反应 0.01h， 生成 1',3',3',5'-tetramethyl-1',3'-dihydro-6H-spiro[benzo[c]pyrano[2,3-h]chromene-2,2'-indol]-6-one
  参考文献：
  名称：

  Synthesis and photochromic properties of spiropyrans containing a fused benzopyranone fragment

  摘要：

  New spiro compounds of the indole, phthalazine, isobenzofuran, and benzopyran series, containing a fused benzopyranone fragment in the chromene moiety, were synthesized. Indole derivatives were found to exhibit photochromic properties under stationary conditions at 293 K. The thermal stability of merocyanine isomers sharply decreases upon introduction of electron-withdrawing nitro group into the indole fragment and fusion of a benzene ring to the chromene fragment.

  DOI：

  10.1134/s1070428009070173
• 作为产物：
  描述：

  1',3',3',5'-tetramethyl-1',3'-dihydro-6H-spiro[benzo[c]pyrano[2,3-h]chromene-2,2'-indol]-6-one 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and photochromic properties of spiropyrans containing a fused benzopyranone fragment

  摘要：

  New spiro compounds of the indole, phthalazine, isobenzofuran, and benzopyran series, containing a fused benzopyranone fragment in the chromene moiety, were synthesized. Indole derivatives were found to exhibit photochromic properties under stationary conditions at 293 K. The thermal stability of merocyanine isomers sharply decreases upon introduction of electron-withdrawing nitro group into the indole fragment and fusion of a benzene ring to the chromene fragment.

  DOI：

  10.1134/s1070428009070173