Li2[(2,2'-bis(tert-butyldimethylsilylamido)-1,1'-binaphthyl)]*2THF | 556808-42-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Li2[(2,2'-bis(tert-butyldimethylsilylamido)-1,1'-binaphthyl)]*2THF
• 英文别名: dilithium;[tert-butyl(dimethyl)silyl]-[1-[2-[tert-butyl(dimethyl)silyl]azanidylnaphthalen-1-yl]naphthalen-2-yl]azanide;oxolane
• CAS: 556808-42-5
• 化学式: C₄₀H₅₈Li₂N₂O₂Si₂
• 分子量: 668.966
• InChiKey: VRFUXBQCFRMEJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.28
• 重原子数：
  48
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Li2[(2,2'-bis(tert-butyldimethylsilylamido)-1,1'-binaphthyl)]*2THF 、 氯化锆(IV) 以 四氢呋喃 为溶剂， 以95%的产率得到[(2,2'-bis(tert-butyldimethylsilylamido)-1,1'-binaphthyl)ZrCl2(THF)]
  参考文献：
  名称：

  Synthesis of chelating, C2-symmetric bis(silylamido) complexes of zirconium, and their activities as olefin polymerization catalysts

  摘要：

  The zirconium bis(silylamido) complexes {[DADMB]ZrCl2}(2) (3; DADMB=2,2'-bis(tert-butyidimethylsilylamido)-6,6'-dimethylbiphenyl), and [DMBN](ZrCl2THF)-T-. (41; DMBN=2,2'-bis(tert-butyldimethylsilylamido)-1,1'-binaphthyl) were prepared from the corresponding lithiated silylamines. The structure of 3 was determined by X-ray crystallography. The benzyl and methyl derivatives of 4, [DBMN]Zr(CH2Ph)(2) (5) and [DMBN]ZrMe2 (.) THF (6), were prepared by treatment of 4 with PhCH2K and MeLi, respectively. Reaction of 5 with B(C6F5)(3) produces the crystallographically characterized zwitterionic complex [DMBN]Zr(CH2Ph)[eta(6)-PhCH2B(C6F5)(3)] (7), in which the benzyl group of the anion is coordinated in an eta(6)-fashion to zirconium. Compounds 3 and 4 are moderately active as ethylene polymerization catalysts when activated with excess MAO. Activation of 5 with 1 equiv. of [Ph3C][B(C6F5)(4)] resulted in formation of a catalyst which polymerizes neat 1-hexene to give low molecular weight polyhexene. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01295-1