methyl (Z)-5-cyclohexyl-3-methylpent-2-en-4-ynoate | 1264272-21-0

• 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: methyl (Z)-5-cyclohexyl-3-methylpent-2-en-4-ynoate
• CAS: 1264272-21-0
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: CHRVJMMAQBWWNL-KHPPLWFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.69
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  methyl (Z)-5-cyclohexyl-3-methylpent-2-en-4-ynoate 在 二异丁基氢化铝 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 生成 (Z)-5-cyclohexyl-3-methylpent-2-en-4-ynal
  参考文献：
  名称：

  Palladium-Catalyzed Alkoxycarbonylation of (Z)-2-En-4-yn Carbonates Leading to 2,3,5-Trienoates

  摘要：

  Pd(0)-catalyzed carbonylation of (Z)-2-en-4-yn carbonates in the presence of a balloon pressure of CO in an alcohol donates vinylallenyl esters with an exclusively E-configuration and in high yields. The fact that no such reactivity could be observed with E-configured enyne carbonates may indicate that the reaction is promoted via the cooperative coordination of palladium with both alkynyl and carbonate moieties.

  DOI：

  10.1021/ol102989q
• 作为产物：
  描述：

  2-丁炔酸甲酯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 溶剂黄146 、 三乙胺 、 sodium iodide 作用下， 反应 6.17h， 生成 methyl (Z)-5-cyclohexyl-3-methylpent-2-en-4-ynoate
  参考文献：
  名称：

  Palladium-Catalyzed Alkoxycarbonylation of (Z)-2-En-4-yn Carbonates Leading to 2,3,5-Trienoates

  摘要：

  Pd(0)-catalyzed carbonylation of (Z)-2-en-4-yn carbonates in the presence of a balloon pressure of CO in an alcohol donates vinylallenyl esters with an exclusively E-configuration and in high yields. The fact that no such reactivity could be observed with E-configured enyne carbonates may indicate that the reaction is promoted via the cooperative coordination of palladium with both alkynyl and carbonate moieties.

  DOI：

  10.1021/ol102989q