(E)-7-(2,6,6-Trimethyl-cyclohex-1-enyl)-hept-6-ene-2,5-dione | 62381-32-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (E)-7-(2,6,6-Trimethyl-cyclohex-1-enyl)-hept-6-ene-2,5-dione
• 英文别名: (E)-7-(2,6,6-trimethylcyclohexen-1-yl)hept-6-ene-2,5-dione
• CAS: 62381-32-2
• 化学式: C₁₆H₂₄O₂
• 分子量: 248.365
• InChiKey: RPYVNFMLYJGAEN-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  (E)-1-(2,6,6-Trimethyl-cyclohex-1-enyl)-hept-1-en-6-yn-3-one 在 mercuric triflate 作用下， 以 苯 为溶剂， 反应 2.0h， 以70%的产率得到2-Methyl-5-[(E)-2-(2,6,6-trimethyl-cyclohex-1-enyl)-vinyl]-furan
  参考文献：
  名称：

  Mercuric Triflate-Catalyzed Synthesis of 2-Methylfurans from 1-Alkyn-5-ones

  摘要：

  2-Methylfurans were prepared by an effective cyclization of 1-alkyn-5-ones in the presence of mercuric triflate as the catalyst under very mild reaction conditions with high catalytic turnover up to 100 times. Benzene, toluene, or dichloromethane was the solvent of choice.

  DOI：

  10.1021/ol048730p

文献信息

• Synthesis of 1,4-diketones by oxidative coupling of ketone enolates with copper(II) chloride
  作者：Yoshihiko Ito、Toshiro Konoike、Toshiro Harada、Takeo Saegusa

  DOI：10.1021/ja00447a035

  日期：1977.3
• Mercuric Triflate-Catalyzed Synthesis of 2-Methylfurans from 1-Alkyn-5-ones
  作者：Hiroshi Imagawa、Takahiro Kurisaki、Mugio Nishizawa

  DOI：10.1021/ol048730p

  日期：2004.10.1

  2-Methylfurans were prepared by an effective cyclization of 1-alkyn-5-ones in the presence of mercuric triflate as the catalyst under very mild reaction conditions with high catalytic turnover up to 100 times. Benzene, toluene, or dichloromethane was the solvent of choice.