N-methyl-N-(5-phenylpent-2-ynyl)cyclohexanamine | 1118638-92-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-methyl-N-(5-phenylpent-2-ynyl)cyclohexanamine
• CAS: 1118638-92-8
• 化学式: C₁₈H₂₅N
• 分子量: 255.403
• InChiKey: FAQURQOIYHRPCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-苯基-1-丁炔 、 N,N-二甲基环己胺 在 偶氮二甲酸二乙酯 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以73%的产率得到N-methyl-N-(5-phenylpent-2-ynyl)cyclohexanamine
  参考文献：
  名称：

  Copper/Diethyl Azodicarboxylate Mediated Regioselective Alkynylation of Unactivated Aliphatic Tertiary Methylamine with Terminal Alkyne

  摘要：

  Mediated by copper/diethyl azodicarboxylate, regioselective alkynylation of unactivated aliphatic tertiary methylamine with terminal alkyne was successfully established. It is not necessary for the tertiary methylamines to be aryl substituted to modulate the properties of amines. The alkynylation reaction described here has the advantage of simple operation, mild reaction conditions, good to excellent yields, and no need to exclude air and moisture.

  DOI：

  10.1021/ol802974b

文献信息

• Copper/Diethyl Azodicarboxylate Mediated Regioselective Alkynylation of Unactivated Aliphatic Tertiary Methylamine with Terminal Alkyne
  作者：Xiaoliang Xu、Xiaonian Li

  DOI：10.1021/ol802974b

  日期：2009.2.19

  Mediated by copper/diethyl azodicarboxylate, regioselective alkynylation of unactivated aliphatic tertiary methylamine with terminal alkyne was successfully established. It is not necessary for the tertiary methylamines to be aryl substituted to modulate the properties of amines. The alkynylation reaction described here has the advantage of simple operation, mild reaction conditions, good to excellent yields, and no need to exclude air and moisture.