2-methyl-3-(n-butyl)penta-3,4-dienoic acid | 868696-96-2

• 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: 2-methyl-3-(n-butyl)penta-3,4-dienoic acid
• CAS: 868696-96-2
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: VKHRRRHSSKCLRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-3-(n-butyl)penta-3,4-dienoic acid 在 bis-triphenylphosphine-palladium(II) chloride potassium carbonate 、 copper dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以88%的产率得到3-methyl-4-(n-butyl)-5-methylene-2(5H)-furanone
  参考文献：
  名称：

  A palladium catalyzed efficient synthesis of γ-methylene-α,β-unsaturated γ-lactones via cyclization of 3,4-alkadienoic acids

  摘要：

  An efficient method was developed for the synthesis of gamma-methylene-alpha, beta-unsaturated gamma-lactones from the Pd-catalyzed cyclization of 3,4-alkadienoic acids. Control experiment shows that the reaction should be carried out under a N-2 atmosphere to ensure the high purity of the products. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.06.063
• 作为产物：
  描述：

  2-甲基-3-亚乙烯基庚酸乙酯 在 lithium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 72.0h， 以91%的产率得到2-methyl-3-(n-butyl)penta-3,4-dienoic acid
  参考文献：
  名称：

  A palladium catalyzed efficient synthesis of γ-methylene-α,β-unsaturated γ-lactones via cyclization of 3,4-alkadienoic acids

  摘要：

  An efficient method was developed for the synthesis of gamma-methylene-alpha, beta-unsaturated gamma-lactones from the Pd-catalyzed cyclization of 3,4-alkadienoic acids. Control experiment shows that the reaction should be carried out under a N-2 atmosphere to ensure the high purity of the products. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.06.063

文献信息

• A palladium catalyzed efficient synthesis of γ-methylene-α,β-unsaturated γ-lactones via cyclization of 3,4-alkadienoic acids
  作者：Shengming Ma、Fei Yu

  DOI：10.1016/j.tet.2005.06.063

  日期：2005.10

  An efficient method was developed for the synthesis of gamma-methylene-alpha, beta-unsaturated gamma-lactones from the Pd-catalyzed cyclization of 3,4-alkadienoic acids. Control experiment shows that the reaction should be carried out under a N-2 atmosphere to ensure the high purity of the products. (c) 2005 Elsevier Ltd. All rights reserved.