1-乙基-4-乙炔基苯铜(1+)

• 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-乙基-4-乙炔基苯铜(1+)
• 英文名称: 1-copper(I) (4-ethylphenyl)ethyne
• 英文别名: Copper(1+);1-ethyl-4-ethynylbenzene；copper(1+);1-ethyl-4-ethynylbenzene
• 化学式: C₁₀H₉Cu
• 分子量: 192.727
• InChiKey: ZILANTGQEQAJDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.18
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  二氯二苯三氯乙烷 、 1-乙基-4-乙炔基苯铜(1+) 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.62h， 以97%的产率得到3-chloro-5-(4-ethylphenyl)isoxazole
  参考文献：
  名称：

  Tandem Synthesis of 3-Halo-5-Substituted Isoxazoles from 1-Copper(I) Alkynes and Dihaloformaldoximes

  摘要：

  A tandem synthesis of 3-halo-5-substituted isoxazoles has been developed from 1-copper(I) alkynes and dihaloformaldoximes under base-free conditions. Thus, 1,3-dipolar cycloaddition and all its drawbacks can now be avoided completely.

  DOI：

  10.1021/ol503008t
• 作为产物：
  描述：

  copper(ll) sulfate pentahydrate 、 4-乙基苯乙炔 在 ammonium hydroxide 、 盐酸羟胺 作用下， 以 水 、 乙醇 为溶剂， 反应 0.17h， 生成 1-乙基-4-乙炔基苯铜(1+)
  参考文献：
  名称：

  Tandem Synthesis of 3-Halo-5-Substituted Isoxazoles from 1-Copper(I) Alkynes and Dihaloformaldoximes

  摘要：

  A tandem synthesis of 3-halo-5-substituted isoxazoles has been developed from 1-copper(I) alkynes and dihaloformaldoximes under base-free conditions. Thus, 1,3-dipolar cycloaddition and all its drawbacks can now be avoided completely.

  DOI：

  10.1021/ol503008t

文献信息

• Tandem Synthesis of 3-Chloro-4-iodoisoxazoles from 1-Copper(I) Alkynes, Dichloroformaldoxime, and Molecular Iodine
  作者：Wenwen Chen、Jianlan Zhang、Bo Wang、Zhouxing Zhao、Xinyan Wang、Yuefei Hu

  DOI：10.1021/jo502634h

  日期：2015.2.20

  A tandem synthesis for structurally novel 3-chloro-4-iodoisoxazoles was developed by simply mixing 1-copper(I) alkynes, dichloroformaldoxime, and molecular iodine together. The combination of 1-copper(I) alkyne and molecular iodine was well used as a synthetic equivalent of 1-iodoalkyne without the need for tedious preparation, purification, and storage of 1-iodoalkyne.
• Tandem Synthesis of 3-Halo-5-Substituted Isoxazoles from 1-Copper(I) Alkynes and Dihaloformaldoximes
  作者：Wenwen Chen、Bo Wang、Nan Liu、Dayun Huang、Xinyan Wang、Yuefei Hu

  DOI：10.1021/ol503008t

  日期：2014.12.5

  A tandem synthesis of 3-halo-5-substituted isoxazoles has been developed from 1-copper(I) alkynes and dihaloformaldoximes under base-free conditions. Thus, 1,3-dipolar cycloaddition and all its drawbacks can now be avoided completely.