copper(I) hexafluoroacetylacetonate hex-3-yn-1-ene | 213133-85-8

• 英文名称: copper(I) hexafluoroacetylacetonate hex-3-yn-1-ene
• 英文别名: (hexafluoroacetylacetonate)Cu(hex-3-yn-1-ene)
• CAS: 213133-85-8
• 化学式: C₁₁H₉CuF₆O₂
• 分子量: 350.728
• InChiKey: SPQPIGUYWQKVMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  copper(I) hexafluoroacetylacetonate hex-3-yn-1-ene 以 neat (no solvent, gas phase) 为溶剂， 以97%的产率得到bis(copper(I) hexafluoroacetylacetonate) hex-3-yn-1-ene
  参考文献：
  名称：

  Formation Study and X-ray Structures of Dinuclear β-Diketonate Copper(I) Complexes with Conjugated Ene−Yne Lewis Base. Implications for the Use of (hfac)Cu(MHY) as a Precursor for Copper CVD

  摘要：

  Dinuclear [(hfac)Cu](2)(MHY) and [(hfac)Cu](2)(HY) species, where hfac = hexafluoroacetylacetonate, MHY = 2-methyl-1-hexen-3-yne, and HY = hex-3-yn-1-ene), are formed during copper chemical vapor deposition experiments when a bubbler containing the corresponding mononuclear species is used. These compounds and the so far unknown (hfac)Cu(HY) have been characterized by H-1 and C-13 NMR and IR spectroscopy and the two dinuclear species by X-ray crystallography and elemental analysis. As expected, in the structure of the dinuclear species, two roughly perpendicular Cu(hfac) moieties are bound to a single ene-yne: one to the C-C triple bond, the other to the conjuguated double bond. Weak intra- and intermolecular Cu . . . Cu interactions have been detected in the solid. [(hfac)Cu](2)(HY) is more stable and more easily formed than [(hfac)Cu](2)(MHY) because of the hindrance character of the additional methyl groups. The formation of the dinuclear species from the mononuclear species is reversible as it has been demonstrated by 1H NMR. The mononuclear species can be recovered from the dinuclear species when,free ene-yne base is added. Crystallographic data for [(hfac)Cu](2)-MHY): C17H12O4F12Cu2, triclinic, P (1) over bar (No. 2), Z = 4; at 298 K, a = 11.112(3) Angstrom, b = 13.472(4) Angstrom, c = 15.747(3) Angstrom, alpha = 94.95(2)degrees, beta = 98.15(2)degrees, gamma = 100.27(2)degrees; Crystallographic data for [(hfac)Cu](2)(HY): C16H10O4F12Cu2, orthorhombic, Cc2a (No. 41, Aba2), Z = 8; at 230 K, a = 12.280(3) Angstrom, b = 13.531(3) Angstrom, c = 25.461(5) Angstrom.

  DOI：

  10.1021/ic010502t
• 作为产物：
  描述：

  copper(I) oxide 、 1-己烯-3-炔 、 六氟乙酰丙酮 以 正戊烷 为溶剂， 生成 copper(I) hexafluoroacetylacetonate hex-3-yn-1-ene
  参考文献：
  名称：

  Formation Study and X-ray Structures of Dinuclear β-Diketonate Copper(I) Complexes with Conjugated Ene−Yne Lewis Base. Implications for the Use of (hfac)Cu(MHY) as a Precursor for Copper CVD

  摘要：

  Dinuclear [(hfac)Cu](2)(MHY) and [(hfac)Cu](2)(HY) species, where hfac = hexafluoroacetylacetonate, MHY = 2-methyl-1-hexen-3-yne, and HY = hex-3-yn-1-ene), are formed during copper chemical vapor deposition experiments when a bubbler containing the corresponding mononuclear species is used. These compounds and the so far unknown (hfac)Cu(HY) have been characterized by H-1 and C-13 NMR and IR spectroscopy and the two dinuclear species by X-ray crystallography and elemental analysis. As expected, in the structure of the dinuclear species, two roughly perpendicular Cu(hfac) moieties are bound to a single ene-yne: one to the C-C triple bond, the other to the conjuguated double bond. Weak intra- and intermolecular Cu . . . Cu interactions have been detected in the solid. [(hfac)Cu](2)(HY) is more stable and more easily formed than [(hfac)Cu](2)(MHY) because of the hindrance character of the additional methyl groups. The formation of the dinuclear species from the mononuclear species is reversible as it has been demonstrated by 1H NMR. The mononuclear species can be recovered from the dinuclear species when,free ene-yne base is added. Crystallographic data for [(hfac)Cu](2)-MHY): C17H12O4F12Cu2, triclinic, P (1) over bar (No. 2), Z = 4; at 298 K, a = 11.112(3) Angstrom, b = 13.472(4) Angstrom, c = 15.747(3) Angstrom, alpha = 94.95(2)degrees, beta = 98.15(2)degrees, gamma = 100.27(2)degrees; Crystallographic data for [(hfac)Cu](2)(HY): C16H10O4F12Cu2, orthorhombic, Cc2a (No. 41, Aba2), Z = 8; at 230 K, a = 12.280(3) Angstrom, b = 13.531(3) Angstrom, c = 25.461(5) Angstrom.

  DOI：

  10.1021/ic010502t