3-[2-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-cyclohex-1-enyl]-4-(2,2,2-trifluoro-ethyl)-furan-2,5-dione | 557055-96-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-[2-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-cyclohex-1-enyl]-4-(2,2,2-trifluoro-ethyl)-furan-2,5-dione
• 英文别名: 3-[2-(5-Methoxy-1,2-dimethylindol-3-yl)cyclohexen-1-yl]-4-(2,2,2-trifluoroethyl)furan-2,5-dione
• CAS: 557055-96-6
• 化学式: C₂₃H₂₂F₃NO₄
• 分子量: 433.427
• InChiKey: JPOLHTJFAAPBKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  57.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-[2-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-cyclohex-1-enyl]-4-(2,2,2-trifluoro-ethyl)-furan-2,5-dione 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Thermolysis of fluorinated cycloalkylidene fulgides yields a new class of photochromic compoundsElectronic supplementary information (ESI) available: Synthetic procedures for 3–10. Optical and stability characterization methods. See http://www.rsc.org/suppdata/cc/b3/b300010a/

  摘要：

  A series of fluorinated cycloalkylidene indolylfulgides has been designed, synthesized and characterized; most of the thermolysis products of these fulgides maintain photochromicity and display outstanding thermal and photochemical stability.

  DOI：

  10.1039/b300010a
• 作为产物：
  描述：

  3-Cyclohexylidene-4-[2,2,2-trifluoro-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-eth-(Z)-ylidene]-dihydro-furan-2,5-dione 以 xylene 为溶剂， 反应 120.0h， 以30%的产率得到3-[2-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-cyclohex-1-enyl]-4-(2,2,2-trifluoro-ethyl)-furan-2,5-dione
  参考文献：
  名称：

  Thermolysis of fluorinated cycloalkylidene fulgides yields a new class of photochromic compoundsElectronic supplementary information (ESI) available: Synthetic procedures for 3–10. Optical and stability characterization methods. See http://www.rsc.org/suppdata/cc/b3/b300010a/

  摘要：

  A series of fluorinated cycloalkylidene indolylfulgides has been designed, synthesized and characterized; most of the thermolysis products of these fulgides maintain photochromicity and display outstanding thermal and photochemical stability.

  DOI：

  10.1039/b300010a