zinc bis-(1,4-di-t-butyl-1,4-diazabutadiene) | 58023-82-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: zinc bis-(1,4-di-t-butyl-1,4-diazabutadiene)
• CAS: 58023-82-8
• 化学式: C₂₀H₄₀N₄Zn
• 分子量: 401.954
• InChiKey: XLLZJXPMDRTTIZ-HJPYQBAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 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：

  zinc bis-(1,4-di-t-butyl-1,4-diazabutadiene) 、 [Zn(1,4-di-tert-butyl-1,4-diaza-1,3-butadiene)2](OTf)2 以 乙醚 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  A Homologous Series of Homoleptic Zinc Bis(1,4-di-tert-butyl-1,4-diaza-1,3-butadiene) Complexes:  K_x[Zn(t-BuNCHCHN-t-Bu)₂], Zn(t-BuNCHCHN-t-Bu)₂, and [Zn(t-BuNCHCHN-t-Bu)₂](OTf)_x (x = 1, 2)

  摘要：

  A homologous series of mono-and dicationic, neutral, and mono-and dianionic zinc diazabutadiene complexes, K-x[Zn(t-BuNCHCHN-t-Bu)(2)], Zn(t-BuNCHCHN-t-Bu)(2), and [Zn(t-BuNCHCHN-t-Bu)(2)](OTf)(x) (x = 1, 2), have been prepared and isolated in pure form. The crystal structures of the mono-and dicationic as well as of the monoanionic complexes are reported. In this series, the formal charge on the t-BuNCHCHN-t-Bu ligands ranges from -2 to +2, and the way in which the molecular geometry of the ligands varies with the charge is discussed. [Zn(t-BuNCHCHN-t-Bu)(2)](OTf)(2), reacts with methanol to give 1,3-di-terr-butylimidazolium triflate. Crystal data: dicationic 2 ([Zn(t-BuNCHCHN-t-Bu)(2)](OTf)(2), C22H40F6S2N4O6Zn), monoclinic, space group C2/c, with a = 18.015(6) Angstrom, b = 9.257(6) Angstrom, c = 20.012(5) Angstrom, beta = 109.63(3)degrees, and Z = 4; monocationic 3 . thf ([Zn(t-BuNCHCHN-t-Bu)(2)]OTf . thf, C25H38F3N4O3SZn), orthorhombic, space group P2(1)2(1)2(1), with a = 10.3077(6) Angstrom, b = 17.1974(6) Angstrom, c = 17.8241(13) Angstrom, and Z = 4; monoanionic 5 . thf (K(thf)(3)[Zn(t-BuNCHCHN-t-Bu)(2)], C36H72KN4O3Zn), triclinic, space group P (1) over bar, with a = 10.8702(10) Angstrom, b = 11.5175(9) Angstrom, c = 18.2815(13) Angstrom, a 73.795(6)degrees, beta = 74.227(6)degrees, gamma = 75.736(7)degrees, and Z = 2; 7 (1,3-di-tert-butylimidazolium triflate, C12H21F3N2O3S),orthorhombic, space group Pbca, with a = 14.4086(8) Angstrom, b = 12.0293(8) Angstrom, c = 18.6985(12) Angstrom, and Z = 8.

  DOI：

  10.1021/ic970698q
• 作为产物：
  描述：

  lithium bis-(1,4-di-t-butyl-1,4-diazabutadiene) 、 zinc(II) chloride 以 四氢呋喃 为溶剂， 以71%的产率得到zinc bis-(1,4-di-t-butyl-1,4-diazabutadiene)
  参考文献：
  名称：

  Gardiner, Michael G.; Hanson, Graeme R.; Henderson, Mark J., Inorganic Chemistry, 1994, vol. 33, # 11, p. 2456 - 2461

  摘要：

  DOI：