[(2R)-1-hydroxybutan-2-yl] benzoate | 918428-61-2

• 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: [(2R)-1-hydroxybutan-2-yl] benzoate
• CAS: 918428-61-2
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: CWSLAZMJENUWPG-SNVBAGLBSA-N

物化性质

• 沸点：
  310.0±25.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  苯甲酰氯 、 1,2-丁二醇 在 N-benzyl[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}methanamine 、 N,N-二异丙基乙胺 、 copper(l) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 生成 (R)-2-hydroxybutyl benzoate 、 [(2R)-1-hydroxybutan-2-yl] benzoate 、 (S)-1-hydroxybutan-2-yl benzoate 、 2-hydroxybutyl benzoate
  参考文献：
  名称：

  Kinetic Resolution of 1,2-Diols Using Nitrogen-Tethered Bisimidazoline-Copper(I) Catalyzed Benzoylation

  摘要：

  Nitrogen-tethered bisimidazoline (Nb-imidazoline) ligand was utilized in the Cu(I)-catalyzed benzoylation of 1,2-diols. With the assistance of i-Pr(2)NEt, the reaction of rac-1,2-diols with o-methylbenzoyl chloride was smoothly catalyzed by Nb-imidazoline-CuCl in CH(2)Cl(2) to give the corresponding o-methylbenzoylated secondary alcohols in tip to 79% ee.

  DOI：

  10.3987/com-08-s(n)59

文献信息

• Kinetic Resolution of 1,2-Diols Using Nitrogen-Tethered Bisimidazoline-Copper(I) Catalyzed Benzoylation
  作者：Takayoshi Arai、Tomoe Mizukami、Asami Mishiro、Akira Yanagisawa

  DOI：10.3987/com-08-s(n)59

  日期：——

  Nitrogen-tethered bisimidazoline (Nb-imidazoline) ligand was utilized in the Cu(I)-catalyzed benzoylation of 1,2-diols. With the assistance of i-Pr(2)NEt, the reaction of rac-1,2-diols with o-methylbenzoyl chloride was smoothly catalyzed by Nb-imidazoline-CuCl in CH(2)Cl(2) to give the corresponding o-methylbenzoylated secondary alcohols in tip to 79% ee.