| 1160686-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1160686-18-9
• 化学式: C₃₆H₅₄N₂O₂
• 分子量: 546.837
• InChiKey: WCLBCLNKBGUAHM-KKLWWLSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.01
• 重原子数：
  40.0
• 可旋转键数：
  20.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  43.18
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 、 水 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以190 mg的产率得到
  参考文献：
  名称：

  Asymmetric Henry reaction catalyzed by chiral secondary diamine-copper(II) complexes

  摘要：

  The enantioselective Henry reaction was efficiently carried out under mild reaction conditions in 96% ethanol. The chiral C-2-symmetric, secondary bisamines based on the 1,2-diaminocyclohexane framework and copper(II) acetate were found to promote the asymmetric nitroaldol reaction. Aromatic and aliphatic aldehydes were reacted with nitromethane to provide the corresponding beta-nitroalcohols in very good yields and enantioselectivities up to 94%. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.09.032
• 作为产物：
  描述：

  2-(octyloxy)benzaldehyde 、 (1R,2R)-1,2-diaminocyclohexane 在 magnesium sulfate 作用下， 以 甲苯 为溶剂， 反应 25.0h， 生成
  参考文献：
  名称：

  Asymmetric Henry reaction catalyzed by chiral secondary diamine-copper(II) complexes

  摘要：

  The enantioselective Henry reaction was efficiently carried out under mild reaction conditions in 96% ethanol. The chiral C-2-symmetric, secondary bisamines based on the 1,2-diaminocyclohexane framework and copper(II) acetate were found to promote the asymmetric nitroaldol reaction. Aromatic and aliphatic aldehydes were reacted with nitromethane to provide the corresponding beta-nitroalcohols in very good yields and enantioselectivities up to 94%. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.09.032