Ethyl 7-(4-methoxyphenyl)-3-oxohept-6-ynoate | 959975-13-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Ethyl 7-(4-methoxyphenyl)-3-oxohept-6-ynoate
• 英文别名: ethyl 7-(4-methoxyphenyl)-3-oxohept-6-ynoate
• CAS: 959975-13-4
• 化学式: C₁₆H₁₈O₄
• 分子量: 274.317
• InChiKey: RVCUHQHJFSEYGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 7-(4-methoxyphenyl)-3-oxohept-6-ynoate 在 silver hexafluoroantimonate 、 copper(I) trifluoromethanesulfonate benzene 作用下， 以 二氯甲烷 为溶剂， 反应 46.0h， 以45%的产率得到3-(4-methoxyphenyl)-2-cyclohexen-1-one
  参考文献：
  名称：

  Copper/Silver-Cocatalyzed Conia-Ene Reaction of Linear β-Alkynic β-Ketoesters

  摘要：

  A novel and general copper/silver catalytic system has been developed for the Conia-ene intramolecular reaction of linear beta-alkynic beta-ketoesters. In the presence of (CuOTf)(2)center dot C6H6 and AgSbF6 (or AgOAc), a variety of the linear 6-alkynic 6-ketoesters selectively underwent the Conia-ene intramolecular reaction in moderate to good yields.

  DOI：

  10.1021/ol7023289
• 作为产物：
  描述：

  乙酰乙酸乙酯 、 3-bromo-1-(4-methoxyphenyl)propyne 生成 Ethyl 7-(4-methoxyphenyl)-3-oxohept-6-ynoate
  参考文献：
  名称：

  Copper/Silver-Cocatalyzed Conia-Ene Reaction of Linear β-Alkynic β-Ketoesters

  摘要：

  A novel and general copper/silver catalytic system has been developed for the Conia-ene intramolecular reaction of linear beta-alkynic beta-ketoesters. In the presence of (CuOTf)(2)center dot C6H6 and AgSbF6 (or AgOAc), a variety of the linear 6-alkynic 6-ketoesters selectively underwent the Conia-ene intramolecular reaction in moderate to good yields.

  DOI：

  10.1021/ol7023289

文献信息

• Copper/Silver-Cocatalyzed Conia-Ene Reaction of Linear β-Alkynic β<i>-</i>Ketoesters
  作者：Chen-Liang Deng、Ren-Jie Song、Sheng-Mei Guo、Zhi-Qiang Wang、Jin-Heng Li

  DOI：10.1021/ol7023289

  日期：2007.11.1

  A novel and general copper/silver catalytic system has been developed for the Conia-ene intramolecular reaction of linear beta-alkynic beta-ketoesters. In the presence of (CuOTf)(2)center dot C6H6 and AgSbF6 (or AgOAc), a variety of the linear 6-alkynic 6-ketoesters selectively underwent the Conia-ene intramolecular reaction in moderate to good yields.