3,3-Dibutyl-2-methyl-heptanoic acid methyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3,3-Dibutyl-2-methyl-heptanoic acid methyl ester
• 英文别名: Methyl 3,3-dibutyl-2-methylheptanoate；methyl 3,3-dibutyl-2-methylheptanoate
• 化学式: C₁₇H₃₄O₂
• 分子量: 270.456
• InChiKey: ALPHIBZTPGUUCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 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-methoxyprop-1-enyloxy]trimethylsilane 、 5-Butyl-5-fluoro-nonane 在 三甲基铝 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到3,3-Dibutyl-2-methyl-heptanoic acid methyl ester
  参考文献：
  名称：

  Organoaluminum-catalyzed new alkylation of tert-alkyl fluorides: Synthetic utility of AlF interaction

  摘要：

  tert-Alkyl fluorides have been revisited as promising alkylation agents based on the activation of fluorine as a leaving group by organoaluminums through the eminent Al-F interaction. Trialkylaluminums were found to be excellent catalysts as well as alkylation agents. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01237-9

文献信息

• Organoaluminum-catalyzed new alkylation of tert-alkyl fluorides: Synthetic utility of AlF interaction
  作者：Takashi Ooi、Daisuke Uraguchi、Naoko Kagashima、Keiji Maruoka

  DOI：10.1016/s0040-4039(97)01237-9

  日期：1997.8

  tert-Alkyl fluorides have been revisited as promising alkylation agents based on the activation of fluorine as a leaving group by organoaluminums through the eminent Al-F interaction. Trialkylaluminums were found to be excellent catalysts as well as alkylation agents. (C) 1997 Elsevier Science Ltd.