5-((1-苯基环己基)氨基)戊烷-1-醇 | 77160-82-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-((1-苯基环己基)氨基)戊烷-1-醇
• 英文名称: 5-[(1-Phenylcyclohexyl)amino]pentan-1-ol
• CAS: 77160-82-8
• 化学式: C₁₇H₂₇NO
• 分子量: 261.407
• InChiKey: VFKGLWMQUBPXGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  402.0±38.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-((1-苯基环己基)氨基)戊烷-1-醇 在 potassium permanganate 作用下， 以47%的产率得到5-[(1-苯基环己基)氨基]戊酸
  参考文献：
  名称：

  Metabolism of phencyclidine. The role of the carbinolamine intermediate in the formation of lactam and amino acid metabolites of nitrogen heterocycles

  摘要：

  The transformation of phencyclidine in a mouse liver microsome preparation to several oxidative metabolites was studied. With use of GLC and HPLC methods with internal standards, phencyclidine and six metabolites were quantitated and the amino acid 12, resulting from the alpha-oxidation of the piperidine ring, was produced in 10-50 times greater amounts than the other metabolites. While most piperidines and pyrrolidines produce an amino acid and a corresponding lactam, it was found that phencyclidine was not converted to the lactam 11.

  DOI：

  10.1021/jm00379a011
• 作为产物：
  描述：

  5-氨基-1-戊醇 在 4 A molecular sieve 作用下， 以 乙醚 为溶剂， 反应 113.0h， 生成 5-((1-苯基环己基)氨基)戊烷-1-醇
  参考文献：
  名称：

  苯环利定的哺乳动物代谢。

  摘要：

  DOI：

  10.1021/jm00138a004

文献信息

• Mammalian metabolism of phencyclidine
  作者：John K. Baker、James G. Wohlford、Barton J. Bradbury、Philip W. Wirth

  DOI：10.1021/jm00138a004

  日期：1981.6
• Metabolism of phencyclidine. The role of the carbinolamine intermediate in the formation of lactam and amino acid metabolites of nitrogen heterocycles
  作者：John K. Baker、Thomas L. Little

  DOI：10.1021/jm00379a011

  日期：1985.1

  The transformation of phencyclidine in a mouse liver microsome preparation to several oxidative metabolites was studied. With use of GLC and HPLC methods with internal standards, phencyclidine and six metabolites were quantitated and the amino acid 12, resulting from the alpha-oxidation of the piperidine ring, was produced in 10-50 times greater amounts than the other metabolites. While most piperidines and pyrrolidines produce an amino acid and a corresponding lactam, it was found that phencyclidine was not converted to the lactam 11.