2-(Hydroxymethyl)-2-methyl-1-phenyloctan-1-one | 1152052-92-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(Hydroxymethyl)-2-methyl-1-phenyloctan-1-one
• CAS: 1152052-92-0
• 化学式: C₁₆H₂₄O₂
• 分子量: 248.365
• InChiKey: CNUKWFFNYPAKQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-己基-2-甲基环氧乙烷 、 苯甲腈 在 二氯二茂钛 、 锌 、 sodium dihydrogenphosphate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 0.83h， 以36%的产率得到2-(Hydroxymethyl)-2-methyl-1-phenyloctan-1-one
  参考文献：
  名称：

  Titanocene-Promoted Intermolecular Couplings of Epoxides with Nitriles. An Easy Access to β-Hydroxyketones

  摘要：

  Radical couplings of epoxides and nitriles mediated by Cp2TiCl provide a diastereoselective route to the synthesis of beta-hydroxyketones. The conditions of this "aldol-like" reaction are mild enough to avoid the dehydration of the beta-hydroxyketone. The scope of the coupling reaction with functionalized and tetrasubstituted epoxides has been studied. The radical character of the coupling reactions is demonstrated.

  DOI：

  10.1021/jo900479v

文献信息

• Titanocene-Promoted Intermolecular Couplings of Epoxides with Nitriles. An Easy Access to β-Hydroxyketones
  作者：A. Fernández-Mateos、S. Encinas Madrazo、P. Herrero Teijón、R. Rubio González

  DOI：10.1021/jo900479v

  日期：2009.5.15

  Radical couplings of epoxides and nitriles mediated by Cp2TiCl provide a diastereoselective route to the synthesis of beta-hydroxyketones. The conditions of this "aldol-like" reaction are mild enough to avoid the dehydration of the beta-hydroxyketone. The scope of the coupling reaction with functionalized and tetrasubstituted epoxides has been studied. The radical character of the coupling reactions is demonstrated.