[tert-BuCONMo(N(tert-Bu)C6H3(CH3)2)3](OTf) | 916222-49-6

• 英文名称: [tert-BuCONMo(N(tert-Bu)C6H3(CH3)2)3](OTf)
• CAS: 916222-49-6
• 化学式: CF₃O₃S*C₄₁H₆₃MoN₄O
• 分子量: 872.988
• InChiKey: LLPRRURWFIILLT-UHFFFAOYSA-M

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：

  [tert-BuCONMo(N(tert-Bu)C6H3(CH3)2)3](OTf) 、 magnesium anthracene 、 三氟甲磺酸三甲基硅酯 以 乙醚 为溶剂， 以46%的产率得到tert-Bu(Me3SiO)CNMo(N(tert-Bu)C6H3(CH3)2)3
  参考文献：
  名称：

  A Cycle for Organic Nitrile Synthesis via Dinitrogen Cleavage

  摘要：

  In the presence of NaH, the reaction between N2 and Mo(N[t-Bu]Ar)3 (Ar = 3,5-C6H3Me2) proceeds at room temperature to afford NMo(N[t-Bu]Ar)3 (95%). Lewis acidic silyl triflates (Me3SiOTf + pyridine or (i-Pr)3SiOTf) mediate a reaction between acid chlorides and NMo(N[t-Bu]Ar)3 to yield acyl imidos [RC(O)NMo(N[t-Bu]Ar)3][OTf] (R = Me, 92%; Ph, 75%; t-Bu, 64%). The reduction of [RC(O)NMo(N[t-Bu]Ar)3][OTf] by magnesium anthracene followed by treatment with Me3SiOTf affords molybdenum ketimides, R(Me3SiO)CNMo(N[t-Bu]Ar)3 (R = Me, 82%; Ph, 77%; t-Bu, 46%). Exposing R(Me3SiO)CNMo(N[t-Bu]Ar)3 to SnCl2 or ZnCl2 produces ClMo(N[t-Bu]Ar)3 (71-93% for SnCl2) and RCN (97-99%). Magnesium metal reduces ClMo(N[t-Bu]Ar)3 to Mo(N[t-Bu]Ar)3 (74%), completing a synthetic cycle. New strategies for the functionalization of sterically hindered nitrides and nitrile extrusion from d2 ketimides are presented in the context of a new route for derivatizing N2.

  DOI：

  10.1021/ja066090a
• 作为产物：
  描述：

  NMo(N[((t)Bu)(3,5-C6H3Me2)])3 、 N-trimethylsilylpiridinium triflate 、 三甲基乙酰氯 以64%的产率得到[tert-BuCONMo(N(tert-Bu)C6H3(CH3)2)3](OTf)
  参考文献：
  名称：

  A Cycle for Organic Nitrile Synthesis via Dinitrogen Cleavage

  摘要：

  In the presence of NaH, the reaction between N2 and Mo(N[t-Bu]Ar)3 (Ar = 3,5-C6H3Me2) proceeds at room temperature to afford NMo(N[t-Bu]Ar)3 (95%). Lewis acidic silyl triflates (Me3SiOTf + pyridine or (i-Pr)3SiOTf) mediate a reaction between acid chlorides and NMo(N[t-Bu]Ar)3 to yield acyl imidos [RC(O)NMo(N[t-Bu]Ar)3][OTf] (R = Me, 92%; Ph, 75%; t-Bu, 64%). The reduction of [RC(O)NMo(N[t-Bu]Ar)3][OTf] by magnesium anthracene followed by treatment with Me3SiOTf affords molybdenum ketimides, R(Me3SiO)CNMo(N[t-Bu]Ar)3 (R = Me, 82%; Ph, 77%; t-Bu, 46%). Exposing R(Me3SiO)CNMo(N[t-Bu]Ar)3 to SnCl2 or ZnCl2 produces ClMo(N[t-Bu]Ar)3 (71-93% for SnCl2) and RCN (97-99%). Magnesium metal reduces ClMo(N[t-Bu]Ar)3 to Mo(N[t-Bu]Ar)3 (74%), completing a synthetic cycle. New strategies for the functionalization of sterically hindered nitrides and nitrile extrusion from d2 ketimides are presented in the context of a new route for derivatizing N2.

  DOI：

  10.1021/ja066090a