5-cyclohexyl-3-methylpent-3-enoic acid | 142286-41-7

• 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: 5-cyclohexyl-3-methylpent-3-enoic acid
• 英文别名: 5-cyclohexyl-3-methyl-pent-3-ensaeure
• CAS: 142286-41-7
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: RMFFDAMYJNJECT-JXMROGBWSA-N

物化性质

• 沸点：
  328.7±11.0 °C(Predicted)
• 密度：
  0.990±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2,3-dimethyl-pentenedioic acid-anhydride 、 碘环己烷 在 manganese(II) iodide 、 bis(1,5-cyclooctadiene)nickel (0) 、 四甲基乙二胺 作用下， 生成 5-cyclohexyl-3-methylpent-3-enoic acid
  参考文献：
  名称：

  Nickelalactone als Synthesebausteine: Sonochemische und Bimetallaktivierung der Kreuzkopplungsreaktion mit Alkyl-halogeniden

  摘要：

  Nickelalactones with five- and six-membered chelate ring structures can be synthesized in a simple one-pot reaction, starting from Ni(acac)2, bipy, Et3Al and cyclic anhydrides. In the presence of MnI2 and by activation with ultrasound they react selectively with alkyl iodides in cross coupling reactions. The reason for the activating effect of MnI2 is the formation of bimetallic complexes. Many reactive functional groups (e.g. COOR, CHO, CN) can be tolerated. Therefore the cross coupling reaction is of preparative value in the synthesis of functionalized carboxylic acids.

  DOI：

  10.1016/0022-328x(92)80077-b

文献信息

• Nickelalactone als Synthesebausteine: Sonochemische und Bimetallaktivierung der Kreuzkopplungsreaktion mit Alkyl-halogeniden
  作者：Reinald Fischer、Dirk Walther、Gabriele Braunlich、Bernd Undeutsch、Werner Ludwig、Heinz Bandmann

  DOI：10.1016/0022-328x(92)80077-b

  日期：1992.4

  Nickelalactones with five- and six-membered chelate ring structures can be synthesized in a simple one-pot reaction, starting from Ni(acac)2, bipy, Et3Al and cyclic anhydrides. In the presence of MnI2 and by activation with ultrasound they react selectively with alkyl iodides in cross coupling reactions. The reason for the activating effect of MnI2 is the formation of bimetallic complexes. Many reactive functional groups (e.g. COOR, CHO, CN) can be tolerated. Therefore the cross coupling reaction is of preparative value in the synthesis of functionalized carboxylic acids.