(Z)-5-chloro-1-methyl-3-(4-methylbenzylidene)indolin-2-one | 1453119-60-2

• 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: (Z)-5-chloro-1-methyl-3-(4-methylbenzylidene)indolin-2-one
• CAS: 1453119-60-2
• 化学式: C₁₇H₁₄ClNO
• 分子量: 283.757
• InChiKey: NDDCRWWWNPUXOK-DHDCSXOGSA-N

物化性质

• 沸点：
  423.0±45.0 °C(predicted)
• 密度：
  1.277±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  5-chloro-1-methylindolin-2-one 、 (4-甲基苯基)甲醇 在 heptahydrido bis(tricyclohexylphosphine)rheniume(VII) 、 lithium chloride 作用下， 以78.571%的产率得到
  参考文献：
  名称：

  Rhenium-Catalyzed Acceptorless Dehydrogenative Coupling via Dual Activation of Alcohols and Carbonyl Compounds

  摘要：

  The rhenium hetaphydride complex was found to be a versatile, homogeneous catalyst for dehydrogenative functionalization of alcohol. The dehydrogenative C-C coupling of alcohols and carbonyl compounds was carried out in the absence Of base and hydrogen acceptors to afford a series of alpha,beta-unsaturated carbonyl compounds. A possible dual activation pathway was proposed by mechanistic investigations.

  DOI：

  10.1021/cs400572q

文献信息

• Palladium/Copper-Catalyzed Oxidative CH Alkenylation/N-Dealkylative Carbonylation of Tertiary Anilines
  作者：Renyi Shi、Lijun Lu、Hua Zhang、Borui Chen、Yuchen Sha、Chao Liu、Aiwen Lei

  DOI：10.1002/anie.201303911

  日期：2013.9.27

  CH/CN activation: The first palladium/copper‐catalyzed aerobic oxidative CH alkenylation/N‐dealkylative carbonylation of tertiary anilines has been developed. Various functional groups were tolerated and acrylic ester could also be suitable substrates. This transformation provided efficient and straightforward synthesis of biologically active 3‐methyleneindolin‐2‐one derivatives from cheap and simple

  Ç  H / C  Ñ活化：第一钯/铜催化氧化好氧Ç  ħ烯基/ Ñ叔苯胺-dealkylative羰基化得到了发展。可以容忍各种官能团，丙烯酸酯也可以用作合适的底物。这种转化提供了从廉价，简单的底物中高效，直接地合成具有生物活性的3-亚甲基吲哚-2-酮衍生物的功能。