7-endo-(di-tert-butylhydroxymethyl)bicyclo(3.3.1)nonan-2-one | 132259-85-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-endo-(di-tert-butylhydroxymethyl)bicyclo(3.3.1)nonan-2-one
• CAS: 132259-85-9
• 化学式: C₁₈H₃₂O₂
• 分子量: 280.451
• InChiKey: WQBLCXRINMGTES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  4^e-hydroxyadamantan-2-one 以 乙醚 、 正戊烷 为溶剂， 生成 7-endo-(di-tert-butylhydroxymethyl)bicyclo(3.3.1)nonan-2-one
  参考文献：
  名称：

  Syntheses and NMR spectra of substituted 2-tert-butyladamantan-2-ols

  摘要：

  The synthesis of a number of substituted 2-tert-butyladamantan-2-ols from the corresponding ketones is described. In addition to these addition reactions, some unexpected rearrangements were observed. Reaction mechanisms are proposed to rationalize the experimental results. C-13 NMR spectra of some adamantanes are discussed in terms of substituent interaction effects.

  DOI：

  10.1021/jo00005a011

文献信息

• Syntheses and NMR spectra of substituted 2-tert-butyladamantan-2-ols
  作者：Helmut Duddeck、Doris Rosenbaum

  DOI：10.1021/jo00005a011

  日期：1991.3

  The synthesis of a number of substituted 2-tert-butyladamantan-2-ols from the corresponding ketones is described. In addition to these addition reactions, some unexpected rearrangements were observed. Reaction mechanisms are proposed to rationalize the experimental results. C-13 NMR spectra of some adamantanes are discussed in terms of substituent interaction effects.