3-(3-methylphenyl)butanoyl chloride | 1286204-28-1

• 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: 3-(3-methylphenyl)butanoyl chloride
• 英文别名: 3-(3-Methylphenyl)butanoyl chloride
• CAS: 1286204-28-1
• 化学式: C₁₁H₁₃ClO
• 分子量: 196.677
• InChiKey: XDTMJBRBRCQLLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(3-methylphenyl)butanoyl chloride 在 potassium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 以69%的产率得到3-(m-tolyl)butanoic acid
  参考文献：
  名称：

  Lipase catalysed kinetic resolutions of 3-aryl alkanoic acids

  摘要：

  Hydrolase catalysed kinetic resolutions leading to a series of 3-aryl alkanoic acids (>= 94% ee) are described. Hydrolysis of the ethyl esters with a series of hydrolases was undertaken to identify biocatalysts that yield the corresponding acids with excellent enantiopurity in each case. Steric and electronic effects on the efficiency and enantioselectivity of the biocatalytic transformation were also explored. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.12.019
• 作为产物：
  描述：

  3-(m-tolyl)butanoic acid 在 氯化亚砜 作用下， 反应 3.0h， 以4.59 g的产率得到3-(3-methylphenyl)butanoyl chloride
  参考文献：
  名称：

  Lipase catalysed kinetic resolutions of 3-aryl alkanoic acids

  摘要：

  Hydrolase catalysed kinetic resolutions leading to a series of 3-aryl alkanoic acids (>= 94% ee) are described. Hydrolysis of the ethyl esters with a series of hydrolases was undertaken to identify biocatalysts that yield the corresponding acids with excellent enantiopurity in each case. Steric and electronic effects on the efficiency and enantioselectivity of the biocatalytic transformation were also explored. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.12.019

文献信息

• Lipase catalysed kinetic resolutions of 3-aryl alkanoic acids
  作者：Rebecca E. Deasy、Maude Brossat、Thomas S. Moody、Anita R. Maguire

  DOI：10.1016/j.tetasy.2010.12.019

  日期：2011.1

  Hydrolase catalysed kinetic resolutions leading to a series of 3-aryl alkanoic acids (>= 94% ee) are described. Hydrolysis of the ethyl esters with a series of hydrolases was undertaken to identify biocatalysts that yield the corresponding acids with excellent enantiopurity in each case. Steric and electronic effects on the efficiency and enantioselectivity of the biocatalytic transformation were also explored. (C) 2011 Elsevier Ltd. All rights reserved.