1-环己-3-烯基-2-硝基-2-苯基-乙醇 | 1026658-33-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-环己-3-烯基-2-硝基-2-苯基-乙醇
• 英文名称: 1-Cyclohex-3-en-1-yl-2-nitro-2-phenylethanol
• CAS: 1026658-33-2
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.294
• InChiKey: NCBBVBUTDBEVTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-环己-3-烯基-2-硝基-2-苯基-乙醇 在 aluminum amalgam 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 22.0h， 以46%的产率得到2-amino-1-cyclohex-3-en-1-yl-2-phenylethanol
  参考文献：
  名称：

  The aluminum amalgam reduction of 2-nitroalkanols promoted by ultrasound

  摘要：

  The sonochemical promoted aluminum amalgam reduction of 2-nitroalkanols provides an improved yield and accelerated conversion to the corresponding amino alcohols when compared to the nonultrasound (benchtop) reductions. The appearance of by-product hydroxylamines is minimized during the ultrasound promoted reaction. The product amino alcohols were conveniently acylated in situ with promotion by ultrasound thus affording the N-acyl derivatives in the same operation.

  DOI：

  10.1016/0040-4039(94)88062-x
• 作为产物：
  描述：

  硝基甲苯 、 3-环己烯甲醛 在 1,1,2,3-四甲基胍 作用下， 以 四氢呋喃 为溶剂， 生成 1-环己-3-烯基-2-硝基-2-苯基-乙醇
  参考文献：
  名称：

  The aluminum amalgam reduction of 2-nitroalkanols promoted by ultrasound

  摘要：

  The sonochemical promoted aluminum amalgam reduction of 2-nitroalkanols provides an improved yield and accelerated conversion to the corresponding amino alcohols when compared to the nonultrasound (benchtop) reductions. The appearance of by-product hydroxylamines is minimized during the ultrasound promoted reaction. The product amino alcohols were conveniently acylated in situ with promotion by ultrasound thus affording the N-acyl derivatives in the same operation.

  DOI：

  10.1016/0040-4039(94)88062-x