[η1:σ:η5-([2-C=NPr(i)(NHPr(i))]C9H5)C2B9H10]Zr[η2-(Pr(i)N)2C(NMe2)] | 958648-81-2

• 英文名称: [η1:σ:η5-([2-C=NPr(i)(NHPr(i))]C9H5)C2B9H10]Zr[η2-(Pr(i)N)2C(NMe2)]
• 英文别名: [η1:σ:η5-(2-[C=N(i-Pr)(NHiPr)]C9H5)C2B9H10]Zr[η2-(i-PrN)2C(NMe2)]
• CAS: 958648-81-2
• 化学式: C₂₇H₅₀B₉N₅Zr
• 分子量: 633.25
• InChiKey: FKLCQVYTTYCEAG-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

• 作为产物：
  描述：

  [σ:η5-(C9H6)C2B9H10]Zr[η2-(iPrN)2C(NMe2)](THF) 以 甲苯 为溶剂， 以31%的产率得到[η1:σ:η5-([2-C=NPr(i)(NHPr(i))]C9H5)C2B9H10]Zr[η2-(Pr(i)N)2C(NMe2)]
  参考文献：
  名称：

  Reaction of [σ:η⁵-(C₉H₆)C₂B₉H₁₀]Zr(NMe₂)(DME) with Guanidines:  Metallacarborane-Mediated C−N Bond Cleavage and 1,5-Sigmatropic Rearrangement

  摘要：

  Treatment of [sigma:(eta 5)-(C9H6)C2B9H10]Zr(NMe2)(DME) with 2 equiv of guanidines (i) PrNHC(NR2)=N-i Pr (R = Me, Et) in refluxing toluene gave unprecedented complexes [eta:(sigma 5)-{2-[C=N-i Pr(NHi Pr)]C9H5}C2B9H10]eta(2)-[(i)112-(i PrN)(2)C(NR2)] (R = Me, Et). This communication describes the mechanism by which they are formed. Experimental results show that guanidinates are not inert ligands in the present cases that can undergo C-N bond cleavage to generate amido and carbodiimide that subsequently insert into the Zr-C bond to form the final product via 1,5-sigmatropic shift.

  DOI：

  10.1021/ja0754498

文献信息

• Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane
  作者：Hao Shen、Hoi-Shan Chan、Zuowei Xie

  DOI：10.1021/om701108v

  日期：2008.3.24

  2-carborane with 1 equiv of M(NMe2)4 (M = Zr, Hf) in toluene gave [η5-(C2B10H11)C9H6]M(NMe2)3 (2), which were converted to [η5-(C9H7)C2B9H10]M(NMe2)2(HNMe2) (3) in the presence of HNMe2. Complexes 3 were also prepared from an equimolar reaction of [Me3NH][7-C9H7-7,8-C2B9H11] (4) with M(NMe2)4. Dissolving 2 or 3 in polar solvents led to the isolation of structurally unique complexes [σ:η5-(C9H6)C2B9H10]M(NMe2)(L)n

  用1个当量M（NME的1-茚基-1,2-碳硼烷的治疗2）4的甲苯溶液（M =锆，铪），得到[η 5 - （C 2乙10 ħ 11）C 9 H ^ 6 ] M（ NME 2）3（2），将其转化为[η 5 - （C 9 H ^ 7）C 2乙9 ħ 10 ] M（NME 2）2（HNME 2）（3中HNME的存在下）2。配合物3还由[Me 3 NH] [7-C 9 H 7 -7,8-C 2 B 9 H 11 ]（4）与M（NMe 2）4等摩尔反应制备。溶解2或3 [：ησ在导致结构独特的复合物的分离的极性溶剂5 - （C 9 H ^ 6）C 2乙9 ħ 10 ] M（NME 2）（L）Ñ（M =的Ti，L = DME，n = 1（5a）； M = Zr，L = DME，n = 1（在图5b）中，L ＝ Py，n＝ 2（5b′），L ＝ THF，n＝ 2（5b′′））。的相互作用3 1或2个二异丙