Copper(1+);4,5-diethylocta-3,5-diene | 1526921-25-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Copper(1+);4,5-diethylocta-3,5-diene
• CAS: 1526921-25-4
• 化学式: C₄₈H₈₀Cu₈
• 分子量: 1165.53
• InChiKey: LPZIXAFBMTVKJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.32
• 重原子数：
  56
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Copper(1+);4,5-diethylocta-3,5-diene 以 四氢呋喃 为溶剂， 反应 2.0h， 以82%的产率得到1,2,3,4,5,6,7,8-Octaethyl-tricyclo[4.2.0.0^2,5]octa-3,7-diene
  参考文献：
  名称：

  Isolable and Well-Defined Butadienyl Organocopper(I) Aggregates: Facile Synthesis, Structural Characterization, and Reaction Chemistry

  摘要：

  Four types of alkenyl organocopper(I) aggregates linked by 1,3-butadienyl and/or 1,3,5,7-octatetraenyl moieties were selectively realized in good isolated yields. All these organocopper(I) aggregates were structurally characterized by single-crystal X-ray structural analysis. These unprecedented aggregates, stabilized by multiple Cu-Cu interactions and the conjugated 1,3-butadienyl or 1,3,5,7-octatetraenyl bridges, could undergo controlled structural transformations. The 1,4-dicopper 1,3-butadienyl aggregate 3 could be efficiently transformed to aggregate 2, while LiI could disaggregate the 1,3-butadienyl-1,3,5,7-octatetraenyl aggregate 4 to 1,3,5,7-octatetraenyl aggregate 5 and 1,3-butadienyl aggregate 2. Preliminary reaction chemistry and synthetic applications of these organocopper(I) aggregates were also investigated.

  DOI：

  10.1021/ja4114243
• 作为产物：
  描述：

  copper(l) chloride 、 1,2,3,4-tetraethyl-1,4-dilithiobuta-1,3-diene 以 乙醚 为溶剂， 反应 2.0h， 以68%的产率得到Copper(1+);4,5-diethylocta-3,5-diene
  参考文献：
  名称：

  Isolable and Well-Defined Butadienyl Organocopper(I) Aggregates: Facile Synthesis, Structural Characterization, and Reaction Chemistry

  摘要：

  Four types of alkenyl organocopper(I) aggregates linked by 1,3-butadienyl and/or 1,3,5,7-octatetraenyl moieties were selectively realized in good isolated yields. All these organocopper(I) aggregates were structurally characterized by single-crystal X-ray structural analysis. These unprecedented aggregates, stabilized by multiple Cu-Cu interactions and the conjugated 1,3-butadienyl or 1,3,5,7-octatetraenyl bridges, could undergo controlled structural transformations. The 1,4-dicopper 1,3-butadienyl aggregate 3 could be efficiently transformed to aggregate 2, while LiI could disaggregate the 1,3-butadienyl-1,3,5,7-octatetraenyl aggregate 4 to 1,3,5,7-octatetraenyl aggregate 5 and 1,3-butadienyl aggregate 2. Preliminary reaction chemistry and synthetic applications of these organocopper(I) aggregates were also investigated.

  DOI：

  10.1021/ja4114243