6-[2-(1-Butyl-3,3-dimethylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-[2-(1-Butyl-3,3-dimethylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one
• 英文别名: 6-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one
• 化学式: C₂₂H₂₄N₂O₃
• 分子量: 364.444
• InChiKey: JSRCLPXZXKJVNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-[2-(1-Butyl-3,3-dimethylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one 以 苯 为溶剂， 生成 1'-butyl-3',3'-dimethyl-6-nitro-1',3'-dihydro-spiro[chromene-2,2'-indole]
  参考文献：
  名称：

  使用螺吡喃作为光致变色探针测定非极性有机介质中自组装脂质的临界聚集浓度

  摘要：

  发现在非极性有机介质（如苯）中形成有机凝胶的脂质的临界聚集浓度是通过测量作为探针添加的螺吡喃的部花青到螺吡喃热异构化的一级速率常数来确定的。

  DOI：

  10.1246/cl.1999.1165
• 作为产物：
  描述：

  1'-butyl-3',3'-dimethyl-6-nitro-1',3'-dihydro-spiro[chromene-2,2'-indole] 生成 6-[2-(1-Butyl-3,3-dimethylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one
  参考文献：
  名称：

  Nondestructive information reading method

  摘要：

  Degradation of a photochromic material upon multiply repeated recording and partial erasure during readout of information limit the potential use of spiropyrans as switchers and memory recording/storage media in molecular computers. The recording process is the transition from the first to the second thermodynamically stable state.[GRAPHICS].

  DOI：

  10.1134/s0018143909070029

文献信息

• Nondestructive information reading method
  作者：K. G. Dzhaparidze、L. V. Devadze、D. P. Maisuradze、N. O. Sepashvili

  DOI：10.1134/s0018143909070029

  日期：2009.12

  Degradation of a photochromic material upon multiply repeated recording and partial erasure during readout of information limit the potential use of spiropyrans as switchers and memory recording/storage media in molecular computers. The recording process is the transition from the first to the second thermodynamically stable state.[GRAPHICS].
• Determination of Critical Aggregation Concentrations of Self-Assembling Lipids in Nonpolar Organic Media Using Spiropyrans as Photochromic Probes
  作者：Hiroshi Hachisako、Hiroki Nakayama、Hirotaka Ihara

  DOI：10.1246/cl.1999.1165

  日期：1999.11

  Critical aggregation concentrations of organic gel-forming lipids in nonpolar organic media such as benzene were found to be determined by measuring the first-order rate constants of merocyanine-to-spiropyran thermal isomerizations for spiropyrans added as probes.

  发现在非极性有机介质（如苯）中形成有机凝胶的脂质的临界聚集浓度是通过测量作为探针添加的螺吡喃的部花青到螺吡喃热异构化的一级速率常数来确定的。