methyl 3-heptylbenzoate | 1220102-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 3-heptylbenzoate
• 英文别名: Methyl 3-heptylbenzoate
• CAS: 1220102-00-0
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: OZMAXKXLTAQBAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-碘庚烷 、 3-methoxycarbonylphenylzinc iodide 在 chloro(1,5-cyclooctadiene)rhodium(I) dimer 、 3-diphenylphosphino-2-(diphenylphosphino)methyl-2-methylpropyl acetate 作用下， 以 1,1,3,3-四甲基脲 为溶剂， 反应 24.0h， 以90%的产率得到methyl 3-heptylbenzoate
  参考文献：
  名称：

  Negishi Alkyl−Aryl Cross-Coupling Catalyzed by Rh: Efficiency of Novel Tripodal 3-Diphenylphosphino-2-(diphenylphosphino)methyl-2-methylpropyl Acetate Ligand

  摘要：

  3-Diphenylphosphino-2-(diphenylphoshino)methyl-2-methylpropyl acetate acted as an efficient ligand for a Rh catalyst, achieving cross-coupling between arylzinc compounds bearing electron-withdrawing groups and alkyl electrophiles. The beneficial effect of the tripodal ligand and such aryl nucleophiles was discussed with regard to the specificity of the Rh catalysis.

  DOI：

  10.1021/ol100210u

文献信息

• Negishi Alkyl−Aryl Cross-Coupling Catalyzed by Rh: Efficiency of Novel Tripodal 3-Diphenylphosphino-2-(diphenylphosphino)methyl-2-methylpropyl Acetate Ligand
  作者：Syogo Ejiri、Shunsuke Odo、Hideki Takahashi、Yugo Nishimura、Kazuma Gotoh、Yasushi Nishihara、Kentaro Takagi

  DOI：10.1021/ol100210u

  日期：2010.4.16

  3-Diphenylphosphino-2-(diphenylphoshino)methyl-2-methylpropyl acetate acted as an efficient ligand for a Rh catalyst, achieving cross-coupling between arylzinc compounds bearing electron-withdrawing groups and alkyl electrophiles. The beneficial effect of the tripodal ligand and such aryl nucleophiles was discussed with regard to the specificity of the Rh catalysis.