(3R,4R,6R,7S)-3,7-Dihydroxy-2,4,6,8-tetramethyl-nonan-5-one | 110172-22-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3R,4R,6R,7S)-3,7-Dihydroxy-2,4,6,8-tetramethyl-nonan-5-one
• CAS: 110172-22-0
• 化学式: C₁₃H₂₆O₃
• 分子量: 230.348
• InChiKey: PQAGLLOCEKHSEG-KKOKHZNYSA-N

物化性质

• 沸点：
  341.9±17.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  57.53
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3-戊酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 正丁基锂 、 1,1,1,3-tetramethyl-3,3-diphenyl disilazane 作用下， 反应 2.17h， 生成 (3R,4R,6R,7S)-3,7-Dihydroxy-2,4,6,8-tetramethyl-nonan-5-one
  参考文献：
  名称：

  Diastereofacial selectivity of enolates

  摘要：

  DOI：

  10.1021/jo00230a005

文献信息

• Titanium and Boron Mediated Aldol Reactions of .beta.-Hydroxy Ketones
  作者：George P. Luke、Joel Morris

  DOI：10.1021/jo00115a015

  日期：1995.5

  The reaction of enolates derived from titanium and boron complexes of beta-hydroxy ketones with aldehydes afforded aldol products in good to excellent yields. Whereas the boron mediated reactions gave exclusively anti aldol products derived from the reaction at C-alpha, the titanium mediated reactions produced primarily syn aldol products from reaction at C-alpha. The product selectivities observed in the titanium mediated aldol reactions were highly dependent on the substitution pattern of the starting beta-hydroxy ketone.