α-tetrahydropyranyl | 25088-30-6

• 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: α-tetrahydropyranyl
• 英文别名: tetrahydropyran-2-yl radical
• CAS: 25088-30-6
• 化学式: C₅H₉O
• 分子量: 85.1259
• InChiKey: ADJPNXDTTBCKTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  四氢吡喃 在 二叔丁基过氧化物 作用下， 以 various solvent(s) 为溶剂， 生成 α-tetrahydropyranyl
  参考文献：
  名称：

  Kinetic applications of electron paramagnetic resonance spectroscopy. 36. Stereoelectronic effects in hydrogen atom abstraction from ethers

  摘要：

  DOI：

  10.1021/ja00393a018

文献信息

• Kinetic applications of electron paramagnetic resonance spectroscopy. 36. Stereoelectronic effects in hydrogen atom abstraction from ethers
  作者：V. Malatesta、K. U. Ingold

  DOI：10.1021/ja00393a018

  日期：1981.2
• Schliephake, V.; Mix, K.-H.; Wagner, H. Gg., Zeitschrift fur physikalische Chemie (Neue Folge), 1986, vol. 150, p. 1 - 16
  作者：Schliephake, V.、Mix, K.-H.、Wagner, H. Gg.

  DOI：——

  日期：——
• Absolute rate constants for the reactions of tert-butoxyl with ethers: importance of the stereoelectronic effect
  作者：V. Malatesta、J. C. Scaiano

  DOI：10.1021/jo00347a015

  日期：1982.4
• Rate constants for hydrogen abstraction reactions of the sulfate radical, SO4-: experimental and theoretical results for cyclic ethers
  作者：Robert E. Huie、Carol L. Clifton、Sherif A. Kafafi

  DOI：10.1021/j100176a055

  日期：1991.11

  Rate constants have been determined as a function of temperature in aqueous solutions for the reactions of the SO4- radical with the C3 to C6 cyclic monoethers and the diethers 1,4- and 1,3-dioxane. The reactions clearly are grouped into three sets: the C4 and C6 monoethers react the fastest, the C3 and C5 monoethers are slower, and the cyclic diethers are the slowest. Theoretical calculations also have been carried out to estimate the C-H bond strengths in these molecules and these results have been related to the experimental rate constants.