| 66700-89-8

• CAS: 66700-89-8
• 化学式: C₃₀H₅₄IMoN₆*I
• 分子量: 848.548
• InChiKey: ZZIZVRPCJBUNGZ-UHFFFAOYSA-L

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：

  在 锌 作用下， 以 四氢呋喃 为溶剂， 以90%的产率得到iodotetrakis(tert-butyl isocyanide)((N,N'-di-tert-butyldiamino)acetylene)molybdenum(II) iodide
  参考文献：
  名称：

  Higher coordinate cyanide and isocyanide complexes. 15. Reductive coupling of coordinated alkyl isocyanides in seven-coordinate molybdenum(II) and tungsten(II) complexes. Removal of the coupled ligand as an oxamide

  摘要：

  DOI：

  10.1021/ja00369a020
• 作为产物：
  描述：

  iodotetrakis(tert-butyl isocyanide)((N,N'-di-tert-butyldiamino)acetylene)molybdenum(II) iodide 以 乙醇 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Higher coordinate cyanide and isocyanide complexes. 15. Reductive coupling of coordinated alkyl isocyanides in seven-coordinate molybdenum(II) and tungsten(II) complexes. Removal of the coupled ligand as an oxamide

  摘要：

  DOI：

  10.1021/ja00369a020

文献信息

• Giandomenico, Christen M.; Hanau, Lawrence H.; Lippard, Stephen J., Organometallics, 1982, vol. 1, # 50, p. 142 - 148
  作者：Giandomenico, Christen M.、Hanau, Lawrence H.、Lippard, Stephen J.

  DOI：——

  日期：——
• Mechanistic studies of the reductive coupling of isocyanides in seven-co-ordinate molybdenum complexes; X-ray crystal structures of [Mo(CNBu^t)₆] and [Mo{CN(Bu^t)(SiMe₂Bu^t)}(CNBu^t)₅][O₃SCF₃]
  作者：Edmund M. Carnahan、Stephen J. Lippard

  DOI：10.1039/dt9910000699

  日期：——

  Aspects of the mechanism for reductive coupling of alkyl isocyanide ligands in seven-co-ordinate molybdenum(II) complexes of general formula [Mo(CNR)6X]+ (X = halide) have been elucidated. The chemistry is analogous to that previously reported for reductive coupling of adjacent CO ligands in [M(CO)2(dmpe)2Cl] molecules (M = Nb or Ta, dmpe = Me2PCH2CH2PMe2). Reduction of [Mo(CNBu(t))6l]+ with 1% Na/Hg yields the six-co-ordinate molybdenum(0) species, [Mo(CNBu(t))6]. An X-ray crystal structure determination of this molecule revealed considerable bending at the isocyanide nitrogen atoms indicative of substantial charge delocalization onto the ligands. Addition of trifluoroacetic acid to [Mo(CNBu(t))6] results in reductive coupling of two isocyanide ligands to form [Mo(Bu(t)HNC = CNHBu(t))(CNBu(t))4(O2CCF3)]+. Although additional intermediates in this coupling reaction were not isolated, an alkylaminocarbyne is suggested to be another likely species along the mechanistic pathway, by analogy to the CO reductive coupling mechanism. In support of this hypothesis, addition of SiMe2Bu(t)(O3SCF3) to [Mo(CNBu(t))6] resulted in the formation of the stable cation [Mo = CN(Bu(t))(SiMe2Bu(t))}(CNBu(t))5]+. The structure of this new aminocarbyne complex was elucidated in an X-ray crystal structure determination. When 1 equivalent of trifluoroacetic acid was added to [Mo(CNBu(t))6] the interesting doubly protonated species [Mo(CHNHBu(t))(CNBu(t))5]2+ was obtained, as revealed by solution NMR spectroscopic analyses. The possible mechanistic implications of these results are discussed.