3,4-dimethyl-3,4-diphenylhehane-1,6-diol | 1102376-62-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3,4-dimethyl-3,4-diphenylhehane-1,6-diol
• 英文别名: 3,4-Dimethyl-3,4-diphenylhexane-1,6-diol；3,4-dimethyl-3,4-diphenylhexane-1,6-diol
• CAS: 1102376-62-4
• 化学式: C₂₀H₂₆O₂
• 分子量: 298.425
• InChiKey: ZOARRIZBJFLGJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-methyl-2-phenyloxetane 在 2,4,6-三甲基吡啶 、 二氯二茂钛 、 锰 、 三甲基氯硅烷 、 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到3,4-dimethyl-3,4-diphenylhehane-1,6-diol
  参考文献：
  名称：

  Titanocene catalyzed opening of oxetanes

  摘要：

  The reductive opening of oxetanes by CP2TiCl was investigated by a combined synthetic and computational study. The activation and reaction energies predict a more difficult reaction than the related epoxide opening. Synthetically, the gamma-titanoxy radicals obtained behave like typical free radicals. Their reactions are not controlled by the metal and its ligands. This is highlighted by the dimerization of phenyl substituted oxetane derived radicals. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.107

文献信息

• Titanocene catalyzed opening of oxetanes
  作者：Andreas Gansäuer、Noëllie Ndene、Thorsten Lauterbach、José Justicia、Iris Winkler、Christian Mück-Lichtenfeld、Stefan Grimme

  DOI：10.1016/j.tet.2008.08.107

  日期：2008.12

  The reductive opening of oxetanes by CP2TiCl was investigated by a combined synthetic and computational study. The activation and reaction energies predict a more difficult reaction than the related epoxide opening. Synthetically, the gamma-titanoxy radicals obtained behave like typical free radicals. Their reactions are not controlled by the metal and its ligands. This is highlighted by the dimerization of phenyl substituted oxetane derived radicals. (C) 2008 Elsevier Ltd. All rights reserved.