1-(2-chlorophenyl)-2-nitrobutan-1-ol

• 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: 1-(2-chlorophenyl)-2-nitrobutan-1-ol
• 化学式: C₁₀H₁₂ClNO₃
• 分子量: 229.663
• InChiKey: VZCHBEHJDCUQSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯苯甲醛 、 硝基丙烷 在 hydrotalcite 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以89%的产率得到1-(2-chlorophenyl)-2-nitrobutan-1-ol
  参考文献：
  名称：

  Heterogeneous Henry reaction of aldehydes: Diastereoselective synthesis of nitroalcohol derivatives over Mg-Al hydrotalcites

  摘要：

  Mg-Al Hydrotalcite (HT) has been found to catalyze the reaction between aldehydes and nitroalkanes very efficiently affording three nitroalkanols in a highly diastereoselective manner. The ratios of threolerythro isomers are determined from their respective C-13-NMR spectra. A mechanism based on the transition state model for the predominant formation of threo-isomers is also described. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00494-9

文献信息

• Heterogeneous Henry reaction of aldehydes: Diastereoselective synthesis of nitroalcohol derivatives over Mg-Al hydrotalcites
  作者：Vivek J. Bulbule、Vishnu H. Deshpande、Subramani Velu、Arumugam Sudalai、S. Sivasankar、V.T. Sathe

  DOI：10.1016/s0040-4020(99)00494-9

  日期：1999.7

  Mg-Al Hydrotalcite (HT) has been found to catalyze the reaction between aldehydes and nitroalkanes very efficiently affording three nitroalkanols in a highly diastereoselective manner. The ratios of threolerythro isomers are determined from their respective C-13-NMR spectra. A mechanism based on the transition state model for the predominant formation of threo-isomers is also described. (C) 1999 Elsevier Science Ltd. All rights reserved.