| 241165-10-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 241165-10-6
• 化学式: C₃₅H₅₅N₂OSc
• 分子量: 564.79
• InChiKey: BESYUIFMRSHUPT-ISTOKIOSSA-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：

  以 甲苯 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  钪和镥的非螯合膦亚甲基配合物

  摘要：

  钪和镥的第一个膦亚甲基配合物，[LLn(CHPPh3)X] (L = [MeC(NDIPP)CHC(NDIPP)Me]-；Ln = Sc, X = Me, I, TfO; Ln = Lu, X = CH2SiMe3)，已被合成并充分表征。DFT 计算清楚地证明了这些配合物中存在烯丙基 Ln、C、P π 型相互作用。X 射线衍射表明碘化钪配合物具有迄今为止最短的 Sc-C 键长 (2.044(5) Å)。这些膦酰亚甲基配合物很容易转化为叶立德配合物，反应性受 X- 阴离子和 Ln3+ 离子的影响。镥配合物与亚胺的反应表明亚胺快速插入 Lu-C（亚烷基）键。DFT 计算表明，虽然键合情况看起来与钪类似物相似，

  DOI：

  10.1021/jacs.7b11097
• 作为产物：
  描述：

  甲基锂 、 (Nacnac)ScCl2(THF) 以 四氢呋喃 、 正己烷 为溶剂， 以31%的产率得到
  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

• Synthesis of Dialkylscandium Complexes Supported by β-Diketiminato Ligands and Activation with Tris(pentafluorophenyl)borane
  作者：Lawrence W. M. Lee、Warren E. Piers、Mark R. J. Elsegood、William Clegg、Masood Parvez

  DOI：10.1021/om9903801

  日期：1999.8.1

  Treatment of ScCl3. THF3 with the lithium salts of the ligands ArNC(R)CHC(R)NAr, where Ar = 2,6-Pr-i-C6H3 and R = CH3 and Bu-t, gives LScCl2. nTHF derivatives (R = CH3, n = 1, 1a; R = Bu-t, n = 0, 1b). These compounds can be derivatized by allylation with methyllithium or benzylpotassium. The dibenzyl compound prepared from 1a, when treated with B(C6F5)(3), gives an ion pair, 4, in which the cationic scandium center is stabilized by a eta(6)-aryl interaction with the abstracted berate benzyl group.