[1,3-bis(2,6-diisopropylphenyl)imidazolin-2-iminato)Sc(trimethylsilylmethyl)2(THF)] | 1210395-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [1,3-bis(2,6-diisopropylphenyl)imidazolin-2-iminato)Sc(trimethylsilylmethyl)2(THF)]
• 英文别名: [(1,3-bis(2,6-diisopropylphenyl)imidazolin-2-iminato)Sc(CH2SiMe3)2(THF)]；[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide;methanidyl(trimethyl)silane;oxolane;scandium(3+)
• CAS: 1210395-96-2
• 化学式: C₃₉H₆₆N₃OScSi₂
• 分子量: 694.099
• InChiKey: NWRFLTMEPSQATM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.42
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  16.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [1,3-bis(2,6-diisopropylphenyl)imidazolin-2-iminato)Sc(trimethylsilylmethyl)2(THF)] 、 nido-Me2NHCH2CH2C2B9H11 以 四氢呋喃 为溶剂， 以79%的产率得到[(1,3-bis(2,6-diisopropylphenyl)imidazolin-2-iminato)Sc(σ:η5-(Me2NCH2CH2)C2B9H10)(THF)]
  参考文献：
  名称：

  Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds

  摘要：

  Several rare-earth-metal complexes involving both imidazolin-2-iminato and dicarbollide ligands were prepared by the reaction of imidazolin-2-iminato rare-earth-metal dichlorides [(Im(Ar)N)MCl2-(THF)(3)] with 1 equiv of Na-2[C2B9H11] in THF to afford the complexes [(Im(Ar)N)M(eta(5)-C2B9H11)(THF)(2)] (2a, M = Sc; 2b, M = Y; 2c, M = Lu) in high yields. Treatment of [(Im(Ar)N)M(CH2SiMe3)(2)(THF)] with 1 equiv of the zwitterionic [nido-(Me2NHCH2CH2)C2B9H11] in THF afforded the donor-functionalized dicarbollide complexes [(Im(Ar)NM{sigma:eta(5)-(Me2NCH2CH2)C2B9H10}(THF)] (4a, M = Sc; 4b, M = Y; 4c, M = Lu) in good yields. In a similar manner, complexes [(Im(Ar)N)Y{sigma:sigma:eta(5)-(Me2NCH2)(2)C2B9H9}(THF)] (5) and [(Im(Ar)N)Y{sigma:sigma:eta(5)-(Me2NCH2CH2)(MeOCH2CHDC2B9H9}] (6) with two tethered donor moieties were synthesized. All complexes were characterized by various spectroscopic techniques and elemental analyses. Their structures were further confirmed by single-crystal X-ray analyses, revealing that the metal-nitrogen bonds in these complexes are either the shortest or among the shortest ever reported for scandium-, yttrium-, or lutetium-nitrogen systems.

  DOI：

  10.1021/om1011243
• 作为产物：
  描述：

  bis(2,6-diisopropylphenyl)imidazolin-2-imine 、 Sc(CH₂SiMe₃)₃(THF)₂ 以 甲苯 为溶剂， 反应 12.0h， 以87%的产率得到[1,3-bis(2,6-diisopropylphenyl)imidazolin-2-iminato)Sc(trimethylsilylmethyl)2(THF)]
  参考文献：
  名称：

  （苯）咪唑啉-2-亚氨基到Scan和钇配合物的1-己烯均聚和与极性ω-卤代-α-烯烃的共聚

  摘要：

  本文报道了（苯）咪唑啉-2-亚氨基to和钇配合物（Sc1 - Sc3，Y1和Y2）的合成和表征。所有复合物均以高收率分离，并且通过单晶X射线衍射分析显示极短的N–Mt键，表明配体具有高度亲核性。在[Ph 3 C] [B（C 6 F 5）4 ]和Al（i- Bu）3的存在下，scan配合物对1-己烯聚合反应显示中等至高活性，从而显示出趋势Sc1 > Sc3 > Sc2。更重要的是，complex配合物Sc1在1-己烯与极性ω-卤代-α-烯烃的共聚中具有活性，证明了阳离子镧系金属具有良好的杂原子耐受性，这是由于这些配体的强供电子能力所致。详细研究了不同类型的共聚单体对聚合行为和所得共聚物产物微观结构的影响。

  DOI：

  10.1021/acs.organomet.0c00563

文献信息

• Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application
  作者：Alexandra G. Trambitas、Tarun K. Panda、Jelena Jenter、Peter W. Roesky、Constantin Daniliuc、Cristian G. Hrib、Peter G. Jones、Matthias Tamm

  DOI：10.1021/ic9024052

  日期：2010.3.1

  [(1)MCl2(THF)3] (2a, M = Sc; 2b, M = Y; 2c, M = Lu) and the gadolinium complex [(1)GdCl2(THF)2]·[LiCl(THF)2] (2d), containing the 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-iminato ligand 1, proved to be versatile starting materials for the preparation of trimethylsilylmethyl (“neosilyl”) and bis(trimethylsilyl)amido complexes [(1)M(CH2SiMe3)2(THF)2] (3a−3d) and [(1)M(HMDS)2(THF)] [4a−4d, HMDS = hexamethyldisilazide

  稀土金属二氯化物[（1）MCl 2（THF）3 ]（2a，M = Sc; 2b，M = Y; 2c，M = Lu）和complex配合物[（1）GdCl 2（THF）2 ] ·含有1,3-双（2,6-二异丙基苯基）咪唑啉-2-亚氨基配体1的[LiCl（THF）2 ]（2d）被证明是制备三甲基甲硅烷基甲基（“新甲硅烷基”）的通用原料和双（三甲基甲硅烷基）酰胺基络合物[（1）M（CH 2 SiMe 3）2（THF）2 ]（3a- 3D）和[（1）M（HMDS）2（THF）] [ 4A - 4D，HMDS =六甲基二硅，N（森达3）2 ]和苄基配合物的制备[（1）路（CH 2博士）2（THF）2 ]（5c），分别与LiCH 2 SiMe 3，Na [N（SiMe 3）2 ]和KCH 2 Ph反应。用KCp *处理2a - 2c得到单（五甲基环戊二烯基）络合物[（1）Sc（Cp *）Cl（THF）]（6a），[（1）Y（Cp