1-methoxy-2-(undecan-2-yl)benzene | 1201553-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-methoxy-2-(undecan-2-yl)benzene
• 英文别名: 1-Methoxy-2-undecan-2-ylbenzene；1-methoxy-2-undecan-2-ylbenzene
• CAS: 1201553-49-2
• 化学式: C₁₈H₃₀O
• 分子量: 262.436
• InChiKey: ZIFVLUHXSNKVNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-甲氧基苯乙烯 、 n-nonylzinc bromide 在 Pd(IiPr)(OTs)2 、 zinc trifluoromethanesulfonate 、 对苯醌 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 1.5h， 以92%的产率得到1-methoxy-2-(undecan-2-yl)benzene
  参考文献：
  名称：

  Palladium-Catalyzed Hydroalkylation of Styrenes with Organozinc Reagents To Form Carbon−Carbon sp³−sp³ Bonds under Oxidative Conditions

  摘要：

  An unconventional route for the formation of sp(3)-sp(3) C-C bonds from various styrenes and an organozinc reagent in a formal alkene hydroalkylation process is detailed. Mechanistically, this process is proposed to proceed by initial transmetalation followed by formation of a Pd-H species, which is subsequently trapped by the styrene.

  DOI：

  10.1021/ja908545b

文献信息

• Palladium-Catalyzed Hydroalkylation of Styrenes with Organozinc Reagents To Form Carbon−Carbon sp³−sp³ Bonds under Oxidative Conditions
  作者：Kaveri Balan Urkalan、Matthew S. Sigman

  DOI：10.1021/ja908545b

  日期：2009.12.23

  An unconventional route for the formation of sp(3)-sp(3) C-C bonds from various styrenes and an organozinc reagent in a formal alkene hydroalkylation process is detailed. Mechanistically, this process is proposed to proceed by initial transmetalation followed by formation of a Pd-H species, which is subsequently trapped by the styrene.