4-tert-butyl-2-deuteriocyclohexan-1-one | 2979-37-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-tert-butyl-2-deuteriocyclohexan-1-one
• CAS: 2979-37-5
• 化学式: C₁₀H₁₈O
• 分子量: 155.244
• InChiKey: YKFKEYKJGVSEIX-RAMDWTOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.79
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  4-叔丁基环己酮 在 potassium hydride 、 重水 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 1.0h， 生成 4-tert-butyl-2-deuteriocyclohexan-1-one
  参考文献：
  名称：

  Identifying the Roles of Amino Acids, Alcohols and 1,2-Diamines as Mediators in Coupling of Haloarenes to Arenes

  摘要：

  Coupling of haloarenes to arenes has been facilitated by a diverse range of organic additives in the presence of KOtBu or NaOtBu since the first report in 2008. Very recently, we showed that the reactivity of some of these additives (e.g., compounds 6 and 7) could be explained by the formation of organic electron donors in situ, but the role of other additives was not addressed. The simplest of these, alcohols, including 1,2-diols, 1,2-diamines, and amino acids are the most intriguing, and we now report experiments that support their roles as precursors of organic electron donors, underlining the importance of this mode of initiation in these coupling reactions.

  DOI：

  10.1021/ja5101036

文献信息

• Stereochemistry of dithianyllithium addition to cyclohexanone
  作者：Eusebio Juaristi、J. Samuel Cruz-Sanchez、F. Rafael Ramos-Morales

  DOI：10.1021/jo00199a033

  日期：1984.12