2,2-Dimethyl-4-hydroxy-3-decanone | 120573-45-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2-Dimethyl-4-hydroxy-3-decanone
• 英文别名: 4-Hydroxy-2,2-dimethyl-3-decanone；4-hydroxy-2,2-dimethyldecan-3-one
• CAS: 120573-45-7
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: BPZKCNBZNLDILW-UHFFFAOYSA-N

物化性质

• 沸点：
  232.1±8.0 °C(Predicted)
• 密度：
  0.903±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 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：

  庚醛 、 三甲基乙酰氯 在 盐酸 、 (η5-C5H5)2Sm 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以59%的产率得到2,2-Dimethyl-4-hydroxy-3-decanone
  参考文献：
  名称：

  Synthesis of .alpha.-ketols mediated by divalent samarium compounds

  摘要：

  Coupling reactions of acid chlorides are mediated by SmI2 and SmCp2, leading to alpha-ketols 3. Condensation reactions of acid chlorides on aldehydes similarly product alpha-ketols 5; with ketones, best results are obtained with use of SmI2. Reactivities of SmI2 and SmCp2 are compared and mechanisms of the reactions discussed. Formation of an acylsamarium species is shown.

  DOI：

  10.1021/jo00009a035

文献信息

• Carbonylations mediated by dicyclopentadienyl samarium
  作者：J. Collin、H.B. Kagan

  DOI：10.1016/s0040-4039(00)82274-1

  日期：——
• COLLIN, JACQUELINE;NAMY, JEAN-LOUIS;DALLEMER, FREDERIC;KAGAN, HENRI B., J. ORG. CHEM., 56,(1991) N, C. 3118-3122
  作者：COLLIN, JACQUELINE、NAMY, JEAN-LOUIS、DALLEMER, FREDERIC、KAGAN, HENRI B.

  DOI：——

  日期：——
• Synthesis of .alpha.-ketols mediated by divalent samarium compounds
  作者：Jacqueline Collin、Jean Louis Namy、Frederic Dallemer、Henri B. Kagan

  DOI：10.1021/jo00009a035

  日期：1991.4

  Coupling reactions of acid chlorides are mediated by SmI2 and SmCp2, leading to alpha-ketols 3. Condensation reactions of acid chlorides on aldehydes similarly product alpha-ketols 5; with ketones, best results are obtained with use of SmI2. Reactivities of SmI2 and SmCp2 are compared and mechanisms of the reactions discussed. Formation of an acylsamarium species is shown.