benzyl 3-hydroxy-4-methylpentanoate | 126442-54-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 3-hydroxy-4-methylpentanoate
• 英文别名: (+/-)-3-Hydroxy-4-methyl-pentansaeure-benzylester
• CAS: 126442-54-4
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: IMCFUMSKPAKRMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异丁醛 、 2-溴乙酸苄酯 在 二氯二茂钛 锰 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以90%的产率得到benzyl 3-hydroxy-4-methylpentanoate
  参考文献：
  名称：

  Titanocene(III)-Promoted Reformatsky Additions

  摘要：

  A novel method for the promotion of Reformatsky-like reactions is presented. The technique employs titanocene(Ill) chloride as a mild and homogeneous single-electron reductant. The reactions are rapid, operationally simple, and compatible with a wide range of functionalities. These additions are also anti diastereoselective.

  DOI：

  10.1021/ol035269c

文献信息

• Titanocene(III)-Promoted Reformatsky Additions
  作者：J. D. Parrish、Daniel R. Shelton、R. Daniel Little

  DOI：10.1021/ol035269c

  日期：2003.10.1

  A novel method for the promotion of Reformatsky-like reactions is presented. The technique employs titanocene(Ill) chloride as a mild and homogeneous single-electron reductant. The reactions are rapid, operationally simple, and compatible with a wide range of functionalities. These additions are also anti diastereoselective.