1-methyl-2-(5-phenylpenta-1,2-dienyl)benzene | 1220698-80-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 1-methyl-2-(5-phenylpenta-1,2-dienyl)benzene
• 英文别名: 1-(2-methylphenyl)-5-phenylpenta-1,2-diene
• CAS: 1220698-80-5
• 化学式: C₁₈H₁₈
• 分子量: 234.341
• InChiKey: OUENNPFZGAZOBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  2-乙炔基甲苯 在 正丁基锂 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 11.33h， 生成 1-methyl-2-(5-phenylpenta-1,2-dienyl)benzene
  参考文献：
  名称：

  SAMDI Mass Spectrometry-Enabled High-Throughput Optimization of a Traceless Petasis Reaction

  摘要：

  Development of the self-assembled monolayer/MALDI mass spectrometry (SAMDI) platform to enable a high-throughput optimization of a traceless Petasis reaction is described. More than 1800 unique reactions were conducted simultaneously on an array of self-assembled monolayers of alkanethiolates on gold to arrive at optimized conditions, which were then successfully transferred to the solution phase. The utility of this reaction was validated by the efficient synthesis of a variety of di- and trisubstituted allenes.

  DOI：

  10.1021/acscombsci.5b00131

文献信息

• Selective Synthesis of Allenes and Alkynes through Ligand-Controlled, Palladium-Catalyzed Decarboxylative Hydrogenolysis of Propargylic Formates
  作者：Hirohisa Ohmiya、Mingyu Yang、Yoshihiro Yamauchi、Yuhki Ohtsuka、Masaya Sawamura

  DOI：10.1021/ol100405k

  日期：2010.4.16

  Ligand-controlled regioselective palladium-catalyzed decarboxylative hydrogenolysis of propargylic formates is described. A wide range of allenes and alkynes were obtained by using either 1,2-diphenylphosphinoethane (DPPE) or 1,6-bisdiphenylphosphinohexane (DPPH) as a catalyst ligand.

  描述了配体控制的区域选择性钯催化的炔丙基甲酸酯的脱羧氢解。通过使用1,2-二苯基膦基乙烷（DPPE）或1,6-双二苯基膦基己烷（DPPH）作为催化剂配体，可以获得广泛的丙二烯和炔烃。