Zn(OTf)2(1,4-di-tert-butyl-1,4-diaza-1,3-butadiene) | 199382-46-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: Zn(OTf)2(1,4-di-tert-butyl-1,4-diaza-1,3-butadiene)
• CAS: 199382-46-2
• 化学式: C₁₂H₂₀F₆N₂O₆S₂Zn
• 分子量: 531.813
• InChiKey: AICPGCJHPMMUDW-ASNJXXDOSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  N,N'-二丁基-1,2-乙二亚胺 、 三氟甲磺酸 、 diethylzinc 以 乙醚 、 正己烷 为溶剂， 以99%的产率得到Zn(OTf)2(1,4-di-tert-butyl-1,4-diaza-1,3-butadiene)
  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