copper(acetylacetonate)(cis,cis-cycloocta-1,5-diene) | 88947-02-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: copper(acetylacetonate)(cis,cis-cycloocta-1,5-diene)
• 英文别名: copper(1+);(1Z,5Z)-cycloocta-1,5-diene;(Z)-4-oxopent-2-en-2-olate
• CAS: 88947-02-8
• 化学式: C₁₃H₁₉CuO₂
• 分子量: 270.839
• InChiKey: FGUNPISRGUEGJK-DWVXZKBMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,5-环辛二烯 以 氘代甲苯 、 苯 为溶剂， 生成 copper(acetylacetonate)(cis,cis-cycloocta-1,5-diene)
  参考文献：
  名称：

  The chemistry of β-diketonate copper(I) compounds—III. The synthesis of (β-diketonate) Cu(1,5-COD) compounds, the solid state structure and disproportionation of hexafluoroacetylacetonato (1,5-cyclooctadiene)copper(I), (hfac)Cu(1,5-COD)

  摘要：

  The compounds (beta-diketonate)Cu(1,5-COD) have been prepared by the reaction between [(1,5-COD)CuCl]2 and Na)beta-diketonate) for beta-diketonate = hexafluoroacetylacetonate (hfac), trifluoracetylacetonate (tfac) and acetylacetonate (acac) and 1,5-COD = 1,5-cyclooctadiene. These compounds were characterized spectroscopically and (hfac)Cu(1,5-COD) was characterized, in the solid state, by single-crystal X-ray diffraction. Crystal data:empirical formula, C13H13CuF6O2; crystal system, monoclinic; space group, P21/c; a = 10.011(2), b = 9.777(3), c = 15.658(3) angstrom and beta = 107.88(2)-degrees and Z = 4. The coordination of the copper centre is best described as ''3 + 1'' with an asymmetrically coordinated 1,5-COD ligand where the Cu-C(6) = C(7) centroid and Cu-C(10) = C(11) centroid distances are 1.953 and 2.418 angstrom, respectively. The quantitative disproportionation, according to the equation 2(hfac)Cu(1,5-COD) --> Cu + Cu(hfac)2 + 2(1,5-COD) to produce copper metal and volatile by-products, was observed at 200-degrees-C.

  DOI：

  10.1016/s0277-5387(00)86153-7

文献信息

• Photoisomerization of cis,cis-1,5-cyclooctadiene in the presence of copper(I) complexes: wavelength dependence
  作者：Yuan L. Chow、Gonzalo E. Buono-Core、Yuquan Shen

  DOI：10.1021/om00083a010

  日期：1984.5
• US5220044A
  申请人：——

  公开号：US5220044A

  公开（公告）日：1993-06-15