2-(cyclohex-1-en-1-ylmethyl)tetrahydro-2H-pyran | 1416051-12-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-(cyclohex-1-en-1-ylmethyl)tetrahydro-2H-pyran
• CAS: 1416051-12-1
• 化学式: C₁₂H₂₀O
• 分子量: 180.29
• InChiKey: FOMZBXPFRSWKPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-(cyclohexylidenemethyl)tetrahydro-2H-pyran 在 iron p-toluenesulfonate 作用下， 以 1,2-二氯乙烷 为溶剂， 以67%的产率得到2-(cyclohex-1-en-1-ylmethyl)tetrahydro-2H-pyran
  参考文献：
  名称：

  Chemoselective Activities of Fe(III) Catalysts in the Hydrofunctionalization of Allenes

  摘要：

  A range of tetrahydropyrans and piperidines were produced by Fe(III)-catalyzed intramolecular hydroalkoxylation and hydroamination reactions of allenes. Various Fe catalysts with different counterions were tested. Their activities toward allene and alkene activation depended sensitively on their counterion and reaction conditions. Mechanistic study of the reaction intermediates found a new reaction pattern involving the Fe catalysts and diene substrates.

  DOI：

  10.1021/ol303021d