ScBn₃(tetrahydrofuran)₃ | 1019843-52-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: ScBn₃(tetrahydrofuran)₃
• 英文别名: ScBn₃(THF)₃
• CAS: 1019843-52-7
• 化学式: C₃₃H₄₅O₃Sc
• 分子量: 534.674
• InChiKey: FTOYGJOIVSZPTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  ScBn₃(tetrahydrofuran)₃ 以 甲苯 为溶剂， 以69%的产率得到[Sc(benzyl)3(THF)2]
  参考文献：
  名称：

  dium和ute苄基配合物的合成与结构

  摘要：

  Scandium and lutetium benzyl complexes were prepared. Reaction of [ScCl3(THF)(3)] with potassium benzyl afforded [Sc(CH2Ph)(3)(THF)(3)] (1). In the solid state the coordination polyhedron is a distorted octahedron, in which the benzyl groups are located in a facial arrangement on one side of the molecule. One of the coordinated THF molecules could be removed by trituration with toluene and recrystallization of I from toluene to give [Sc(CH2Ph)(3)(THF)(2)] (2). A significantly different compound is obtained by starting the transmetalation reaction at -196 degrees C. Under these conditions the reaction of ScCl3 with KCH2Ph led to a two-dimensional coordination polymer of composition [Sc(CH2Ph)(5)K-2(THF)(3)]. (3), in which the scandium atom is surrounded by five benzyl groups in a trigonal bipyramidal fashion. Under the same reaction conditions, but using LuCl3 as the starting material, the analogue of 1, [Lu(CH2Ph)(3)(THF)(3)] (4), is obtained, which can also be induced to lose a coordinated THF ligand to give [Lu(CH2Ph)(3)(THF)(2)] (5).

  DOI：

  10.1021/om701171y
• 作为产物：
  描述：

  、 benzyl potassium 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 ScBn₃(tetrahydrofuran)₃
  参考文献：
  名称：

  Bimetallic Cleavage of Aromatic C–H Bonds by Rare-Earth-Metal Complexes

  摘要：

  A new type of C-H bond activation mediated by rare-earth metals under reducing conditions is reported. The synergy between reductants and rare-earth-metal complexes allows the cleavage of unactivated aromatic C-H bonds. The reaction between rare-earth-metal iodides supported by a 1,1'-ferrocenediamide ligand and potassium graphite in benzene leads to the formation of a 1:1 metal molar ratio of the corresponding metal hydride and metal phenyl complex. A proposed mechanism involving an inverse sandwich arene bimetallic intermediate is supported by experimental and computational studies.

  DOI：

  10.1021/ja510761j

文献信息

• Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes
  作者：Wenliang Huang、Brianna M. Upton、Saeed I. Khan、Paula L. Diaconescu

  DOI：10.1021/om3010433

  日期：2013.3.11

  Lack of available starting materials and characterization methods are the major obstacles. Herein we report the synthesis and characterization of trisbenzyl complexes of neodymium, gadolinium, holmium, and erbium. In addition, we introduce a direct procedure for the synthesis of lanthanide benzyl and iodide complexes supported by a ferrocene diamide ligand starting from the corresponding oxides. All

  与顺磁性镧系元素（Sc，Y，La和Lu）相比，顺磁性镧系元素（Ln，从Ce到Yb）的有机金属化学远没有那么发达。缺乏可用的起始原料和表征方法是主要障碍。本文中我们报道了钕，g 、,和的三苄基配合物的合成和表征。此外，我们介绍了一种直接程序，用于从相应的氧化物开始合成由二茂铁二酰胺配体支撑的镧系元素苄基和碘化物配合物。所有新合成的化合物均通过X射线晶体学，1 H NMR光谱（（化合物为NMR静音）和元素分析进行了表征。
• Scandium Aminopyridinates: Synthesis, Structure and Isoprene Polymerization
  作者：Christian Döring、Winfried P. Kretschmer、Tobias Bauer、Rhett Kempe

  DOI：10.1002/ejic.200900504

  日期：2009.10

  dialkylscandium complexes [ApScR2(thf)] (R = CH2SiMe3, CH2Ph) are initiators for controlled 3,4-selective isoprene polymerization after activation with perfluorinated tetraphenyl borates. Variation of the polymerization temperature as well as the addition of different alkylaluminium compounds influence the microstructure of the obtained polymer. Bis(dimethylsilyl)amides of scandium polymerize isoprene in the

  [Sc(CH2SiMe3)3(thf)2] 或 [Sc(CH2Ph)3(thf)3] 与氨基吡啶的烷烃消除反应 (1a = (2,6-二异丙基苯基)-[6-(2,4,6-)三异丙基苯基)吡啶-2-基]胺，1b = [6-(2,4,6-三异丙基苯基)吡啶-2-基]-(2,4,6-三甲基苯基)胺，1c = (2,6-二异丙基苯基) )-[6-(2,6-二甲基苯基)吡啶-2-基]胺)导致选择性形成由一个氨基吡啶(Ap)配体稳定的钪的二烷基配合物。这些化合物与硼酸苯胺的反应导致两个烷基官能团之一的消除并提供有机钪阳离子。[ScN(SiHMe2)2}3(thf)] 与氨基吡啶 1a 的胺消除反应产生相应的单（氨基吡啶）络合物。对 [Ap*Sc(CH2Ph)2(thf)] (3a) 进行单晶 X 射线分析，[Ap*Sc(CH2Ph)(thf)3][B(C6H5)4] (4a) 和 [Ap*ScN(SiHMe2)2}2]
• Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes
  作者：Shaozhong Ge、Auke Meetsma、Bart Hessen

  DOI：10.1021/om8005382

  日期：2008.10.27

  converted to cationic species [(L)M(CH2Ph)2]+ by reaction with [PhNMe2H][B(C6F5)4] in C6D5Br in the absence of THF. The neutral complexes 1−4 and their cationic derivatives were studied as catalysts for the hydroamination/cyclization of 2,2-diphenylpent-4-en-1-amine and N-methylpent-4-en-1-amine reference substrates and compared with ligand-free Sc, Y, and La neutral and cationic catalysts. The most effective

  制备了新的中性三齿1,4,6-三甲基-6-吡咯烷-1-基-1,4-二氮杂pan（L）。反应大号与三烷基铝M（CH 2森达3）3（THF）2（M =钪，Y）和tribenzyls M（CH 2 PH）3（THF）3（M =钪，拉）得到三烷基络合物（大号）M （CH 2 SiMe 3）3（M = Sc，1 ; M = Y，2）和三苄基配合物（L）M（CH 2 Ph）3（M = Sc，3 ; M = La，4）。配合物1和2可以转化为其相应的离子化合物[（L）M（CH 2 SiMe 3）2（THF）] [B（C 6 H 5）4 ]（M = Sc，5 ; M = Y，6）与[PhNMe 2 H] [B（C 6 H 5）4 ]在THF中反应。配合物3和4可被转化为阳离子物质[（L）M（CH 2 PH）2 ] +通过与〔PhNMe反应2 H] [B（C 6在不存在THF的情况下在C 6 D 5 Br中的F
• Scandium, Yttrium, and Lanthanum Benzyl and Alkynyl Complexes with the <i>N</i>-(2-Pyrrolidin-1-ylethyl)-1,4-diazepan-6-amido Ligand: Synthesis, Characterization, and <i>Z</i>-Selective Catalytic Linear Dimerization of Phenylacetylenes
  作者：Shaozhong Ge、Auke Meetsma、Bart Hessen

  DOI：10.1021/om8004228

  日期：2009.2.9

  1,4,6-Trimethyl-N-(2-pyrrolidin-1-ylethyl)-1,4-diazepan-6-amine (HL) reacts with M(CH2Ph)(3)(THF)(3) to give the dibenzyl complexes (L)M(CH2Ph)(2) (M = SC, 1; M = Y, 2; M = La, 3). Compounds 1, 2, and 3 can be converted to their corresponding cationic monobenzyl species [(L)M(CH2Ph)](+) (M = Sc, Y and La) by reaction with [PhNMe2H][B(C6F5)(4)]. Reaction of (L)Sc(CH2Ph)(2) with 2 equiv of phenylacetylene affords the monomeric dialkynyl complex (L)Sc(C CPh)(2) (4), while reactions of (L)M(CH2Ph)(2) (M = Y and La) give the dimeric dialkynyl complexes [(L)M(C CPh)(mu-C CPh)](2) (M = Y, 5; M = La, 6). The neutral complexes (2, 3, 5, and 6) and the cationic monobenzyl species [(L)M(CH2Ph)](+) (M = Y and La) are catalysts for the Z-selective linear head-to-head dimerization of phenylacetylenes. The cationic yttrium and the neutral lanthanum systems are the most effective catalysts in the series. The related scandium species show poor activity and selectivity.