6-<1''-trans-(2''-methylcarbonyl)ethenyl>-1',3',3'-trimethylspiro<2H-benzopyran-2,2'-indoline>

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 6-<1''-trans-(2''-methylcarbonyl)ethenyl>-1',3',3'-trimethylspiro<2H-benzopyran-2,2'-indoline>
• 英文别名: (E)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one
• 化学式: C₂₃H₂₃NO₂
• 分子量: 345.441
• InChiKey: ACCJZUSKWYNVRT-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-碘水杨醛 在 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 6.0h， 生成 6-<1''-trans-(2''-methylcarbonyl)ethenyl>-1',3',3'-trimethylspiro<2H-benzopyran-2,2'-indoline>
  参考文献：
  名称：

  Synthesis of Conjugated Spiropyran Dyes via Palladium-Catalyzed Coupling Reaction

  摘要：

  Spiropyrans (5a-h) conjugated at 6 position have been conveniently and efficiently prepared by palladium-catalyzed coupling of 6-iodo-spiropyran (4a, 4b) with olefins or alkynes in moderate to high yield. This method might be a particularly very important way as one of structural modifications for further study of spiropyran containing liquid crystals, which might be a potential optical switch (LCOS) developement based on the principle of photoresolution.

  DOI：

  10.1080/00397919908086198

文献信息

• Synthesis of Conjugated Spiropyran Dyes <i>via</i> Palladium-Catalyzed Coupling Reaction
  作者：Young Jin Cho、Kee Yoon Rho、Sam Rok Keum、Sung Hoon Kim、Cheol Min Yoon

  DOI：10.1080/00397919908086198

  日期：1999.6

  Spiropyrans (5a-h) conjugated at 6 position have been conveniently and efficiently prepared by palladium-catalyzed coupling of 6-iodo-spiropyran (4a, 4b) with olefins or alkynes in moderate to high yield. This method might be a particularly very important way as one of structural modifications for further study of spiropyran containing liquid crystals, which might be a potential optical switch (LCOS) developement based on the principle of photoresolution.