| 155019-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 155019-67-3
• 化学式: C₂₄H₁₂F₁₅MoN₅
• 分子量: 751.309
• InChiKey: FSKIMZQCNWFLPO-UHFFFAOYSA-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：

  、 三氟甲烷磺酸甲酯 以 甲苯 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  Synthesis of Molybdenum and Tungsten Complexes That Contain Triamidoamine Ligands of the Type (C6F5NCH2CH2)3N and Activation of Dinitrogen by Molybdenum

  摘要：

  Three new ligands of the type (ArNHCH2CH2)(3)N (Ar = 3,5-bis(trifluoromethyl)phenyl, 2-(trifluoromethyl)phenyl, and pentafluorophenyl) have been prepared. Only Mo and W complexes containing the [(C6F5NCH2CH2)(3)N](3-) ([N3N](3-)) ligand were found to be stable. Stable complexes that have been prepared include Mo[N3N](NMe(2)), M[N3N]Cl(M = Mo or W), Mo[N3N](OTf) (M = Mo or W), [N3N]M=N (M = Mo or W), and {[N3N]Mo=NMe}(OTf). An X-ray study of Mo[N3N]Cl showed it to be a monomeric distorted trigonal bipyramidal species having a pseudo-C-3 symmetry (space group P (1) over bar, a = 11.265(2) Angstrom, b = 11.371(2) Angstrom, c = 21.805(4) Angstrom, alpha = 82.40(1)degrees, beta = 79.07(1)degrees, gamma = 74.89(1)degrees, V = 2637.4 Angstrom(3), Z = 4, fw = 772.75, rho(calcd) = 1.946 g/cm(3), R = 0.032, R(W) = 0.034). Reduction of Mo[N3N](OTf) with 1 equiv of sodium amalgam yields a dinuclear bridging dinitrogen species, [N3N]Mo(mu N-2)Mo[N3N]. In the presence of 2 equiv of sodium amalgam in ether Mo[N3N](OTf) is reduced to [N3N]Mo(N-2)[Na(ether)(x)] (1 < x < 2). A more stable 15-crown-5 derivative can be prepared and more fully characterized. [N3N]Mo(mu-N-2)Mo[N3N] can be reduced to [N3N]Mo(N-2)[NaL(x)] by sodium amalgam under dinitrogen and the latter can be oxidized to the former by ferrocenium triflate or air. [N3N]Mo(N-2)[NaL(x)] reacts with Mo[N3N](OTf) to give [N3N]Mo(mu-N-2)Mo[N3N], with triisopropylsilyl chloride to give [N3N]MoN=NSi(i-Pr)(3), and with tributyltin chloride to give [N3N]MoN=NSn(Bu)(3). An X-ray study of [N3N]MoN=NSi(i-Pr)(3) (space group P2(1)/n, a 13.524(3) Angstrom, b = 18.016(4) Angstrom, c = 16.248(3) Angstrom, beta = 98.74(2)degrees, V = 3913(1) Angstrom(3), Z = 4, fw = 922.67, rho(calcd) = 1.566 g/cm(3), R = 0.069, R(W) = 0.072) showed it to be a trigonal bipyramidal complex containing a slightly bent diazenido ligand (Mo-N-alpha = 1.788(9) Angstrom, Mo-N-alpha-N-beta = 171.1(8)degrees, N-alpha-N-beta-Si = 154(1)degrees).

  DOI：

  10.1021/ja00089a028
• 作为产物：
  描述：

  在 NaN₃ 作用下， 以 乙腈 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  Synthesis of Molybdenum and Tungsten Complexes That Contain Triamidoamine Ligands of the Type (C6F5NCH2CH2)3N and Activation of Dinitrogen by Molybdenum

  摘要：

  Three new ligands of the type (ArNHCH2CH2)(3)N (Ar = 3,5-bis(trifluoromethyl)phenyl, 2-(trifluoromethyl)phenyl, and pentafluorophenyl) have been prepared. Only Mo and W complexes containing the [(C6F5NCH2CH2)(3)N](3-) ([N3N](3-)) ligand were found to be stable. Stable complexes that have been prepared include Mo[N3N](NMe(2)), M[N3N]Cl(M = Mo or W), Mo[N3N](OTf) (M = Mo or W), [N3N]M=N (M = Mo or W), and {[N3N]Mo=NMe}(OTf). An X-ray study of Mo[N3N]Cl showed it to be a monomeric distorted trigonal bipyramidal species having a pseudo-C-3 symmetry (space group P (1) over bar, a = 11.265(2) Angstrom, b = 11.371(2) Angstrom, c = 21.805(4) Angstrom, alpha = 82.40(1)degrees, beta = 79.07(1)degrees, gamma = 74.89(1)degrees, V = 2637.4 Angstrom(3), Z = 4, fw = 772.75, rho(calcd) = 1.946 g/cm(3), R = 0.032, R(W) = 0.034). Reduction of Mo[N3N](OTf) with 1 equiv of sodium amalgam yields a dinuclear bridging dinitrogen species, [N3N]Mo(mu N-2)Mo[N3N]. In the presence of 2 equiv of sodium amalgam in ether Mo[N3N](OTf) is reduced to [N3N]Mo(N-2)[Na(ether)(x)] (1 < x < 2). A more stable 15-crown-5 derivative can be prepared and more fully characterized. [N3N]Mo(mu-N-2)Mo[N3N] can be reduced to [N3N]Mo(N-2)[NaL(x)] by sodium amalgam under dinitrogen and the latter can be oxidized to the former by ferrocenium triflate or air. [N3N]Mo(N-2)[NaL(x)] reacts with Mo[N3N](OTf) to give [N3N]Mo(mu-N-2)Mo[N3N], with triisopropylsilyl chloride to give [N3N]MoN=NSi(i-Pr)(3), and with tributyltin chloride to give [N3N]MoN=NSn(Bu)(3). An X-ray study of [N3N]MoN=NSi(i-Pr)(3) (space group P2(1)/n, a 13.524(3) Angstrom, b = 18.016(4) Angstrom, c = 16.248(3) Angstrom, beta = 98.74(2)degrees, V = 3913(1) Angstrom(3), Z = 4, fw = 922.67, rho(calcd) = 1.566 g/cm(3), R = 0.069, R(W) = 0.072) showed it to be a trigonal bipyramidal complex containing a slightly bent diazenido ligand (Mo-N-alpha = 1.788(9) Angstrom, Mo-N-alpha-N-beta = 171.1(8)degrees, N-alpha-N-beta-Si = 154(1)degrees).

  DOI：

  10.1021/ja00089a028