| 350609-89-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 350609-89-1
• 化学式: C₄₂H₅₉N₂Sc
• 分子量: 636.9
• InChiKey: RSXBKFNUUROHGU-NJORBQAMSA-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：

  以 氘代甲苯 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Dialkylscandium Complexes Supported by β-Diketiminato Ligands:  Synthesis, Characterization, and Thermal Stability of a New Family of Organoscandium Complexes

  摘要：

  Several diorganoscandium complexes stabilized by the beta -diketiminato ligands (Ar)NC(R)CHC(R)N(Ar) (Ar = 2,6-iPr-C6H3; R = CH3 (ligand a), R = rBu (ligand b)) have been synthesized. Reaction of the lithium salts of the ligands with ScCl3. 3THF leads to the complexes LScCl2(THF)(n), which may be readily alkylated to form the dialkyl derivatives. Most are isolated as base-free, four-coordinate complexes. Several have been characterized via X-ray crystallography, and a detailed discussion of their structures is presented. Steric interactions between Ar and the Sc-alkyl groups force the scandium to adopt an out-of-plane bonding mode. In solution, this is manifested via a fluxional process which equilibrates the two diastereotopic alkyl groups and ligand groups as well. The barriers to this process roughly correlate with the steric bulk of the alkyl substituents. At elevated temperatures, the dialkyl derivatives LScR2 undergo a metalation process whereby one of the alkyl groups is eliminated as RH, and a ligand iPr group is metalated in the methyl position. These reactions are first order in scandium complex, and activation parameters of DeltaH(double dagger) = 19.7(6) kcal mol(-1) and DeltaS(double dagger) = -17(2) cal mol(-1) K-1 were measured for the loss of Me4Si from (Ligb)Sc(CH2SiMe3)(2).

  DOI：

  10.1021/om010131o

文献信息

• Low-Coordinate Organoyttrium Complexes Supported by β-Diketiminato Ligands
  作者：Alyson L. Kenward、Warren E. Piers、Masood Parvez

  DOI：10.1021/om900082d

  日期：2009.5.25

  Several organoyttrium complexes stabilized by β-diketiminato ligands (Ar)NC(R)CHC(R)N(Ar) (Ar = 2,6-iPr2C6H3; R = CH3 (ligand a), R = iBu (ligand b)) have been prepared. Ligand-supported yttrium diiodides LYI2(THF)n were alkylated with organolithium or potassium reagents, yielding low-coordinate bis-alkyl derivatives. Several of these compounds have been characterized by X-ray crystallography, and

  β-二酮亚氨基配体（Ar）NC（R）CHC（R）N（Ar）（Ar = 2,6- i Pr 2 C 6 H 3 ; R = CH 3（配体a），R = i Bu（配体b））已经准备好。配体负载的二碘钇LYI 2（THF）n将其用有机锂或钾试剂烷基化，得到低配位的双烷基衍生物。这些化合物中的几种已经通过X射线晶体学进行了表征，并提出了与类似scan络合物相比这些结构的讨论。固态观察到平面外键合模式，类似于scan双烷基中观察到的键合模式，光谱研究表明，溶液中的通量行为也与for物种观察到的相当。在室温下，双烷基LYR 2易于除去金属烷烃。[HNMe 2 Ph] [B（C 6 F 5）4活化（Lig a）YR 2]生成与η稳定烷基阳离子6 -arene结合NME 2 pH值。这种独特的配位模式经1D研究1 H，13 C，和15 ÑNMR和2D ROESY光谱和似乎稳定针对metalative烷烃消除烷基阳离子。