[2,6-Mes2C6H3Li]2 | 164356-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2,6-Mes2C6H3Li]2
• 英文别名: (Li(2,6-(CH3)2C6H2)2C6H3)2；[(2,6-(2,4,6-trimethylphenyl)phenyl)Li]2；[2,6-(2,4,6-Me3C6H2)2C6H3Li]2；Lithium;1,3,5-trimethyl-2-[3-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzene
• CAS: 164356-88-1
• 化学式: 2C₂₄H₂₅*2Li
• 分子量: 640.807
• InChiKey: LVNYRGJEGLKZRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [2,6-Mes2C6H3Li]2 、 chloroborane*dimethylsulfide 以 乙醚 为溶剂， 以54%的产率得到(2,6-Mes2C6H3BH2)2
  参考文献：
  名称：

  Unsymmetrical 9-Borafluorenes via Low-Temperature C−H Activation of m-Terphenylboranes

  摘要：

  The reaction of 2,6-(4-t-BuC6H4)(2)C6H3Li and with H2ClB.SMe2 or HCl2B.SMe2 in hexane solution afforded the m-terphenyl-substituted unsymmetrical 9-borafluorene 1-(4-tertbutylphenyl)-7-tert-butyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorene, 1, in good to moderate yields. The related reaction of 2,6-(3,5-Me2C6H3)(2)C6H3Li with BH2Cl.SMe2 or BHCl2.SMe2 in toluene solution gave 1-(3,5-dimethylphenyl)-6,8-dimethyl-9-(bis-2,6-(3,5-dimethylphenyl)phenyl)-9-borafluorene, 3. Compounds 1 and 3 are air-stable fluorescent solids. The reactions of 2,6-(2-MeC6H4)(2)C6H3Li or 2,6-Mes(2)C(6)H(3)Li (which possess either two or no o- and o"-hydrogens) with H2ClB.SMe2 gave the primary boranes [2,6-(2-MeC6H4)(2)C6H3BH2](2), 4, and [2,6-Mes(2)C(6)H(3)BH(2)](2), 5, respectively. Quenching of the reaction of 2,6-(4-tBuC(6)H(4))(2)C6H3Li with H2ClB.SMe2 after 1.5 h with pyridine resulted in the isolation of the primary borane [2,6-(4-t-BuC6H4)(2)C6H3BH2](2), 2, as the pyridine adduct 2.py, which after thermolysis at 190 degreesC gave 1-(4-tert-butylphenyl)-7-tert-butyl-9-borafluorene-pyridine, 7.py. Heating a C6D6 solution of 4 to 60-70 degreesC led to C-H activation and formation of a 1:1 adduct of monomeric 4 and 1-(2-methylphenyl)-5-methyl-9-borafluorene, 12. Reaction of 2 equiv of 2,6-(4-t-BuC6H4)(2)C6H3Li with H2ClB.SMe2 in hexane solution followed by addition of THF gave the very crowded diterphenyl borate [2,6-(4-t-BuC6H4)(2)C6H3](2)B(mu-H)(2)Li(THF)(2)](2), 11, which can be converted to I by simple addition of water. Prolonged exposure of I to concentrated aqueous HCl led to B-C bond cleavage and formation of the sterically very crowded diterphenylborinic acid [2,6-(4-t-BuC6H4)(2)C6H3](2)BOH, 15. All compounds have been characterized by H-1, C-13, and B-11 NMR spectroscopy and mass spectrometry, and compounds 1, 4, and 11 have also been characterized by single-crystal X-ray crystallography.

  DOI：

  10.1021/om020611v

文献信息

• Structure and Bonding in a Diamond‐Shaped Tin Cluster Possessing a <i>cyclo</i> ‐Sn ₄ Core
  作者：Rex C. Handford、T. Alex Wheeler、T. Don Tilley

  DOI：10.1002/chem.202000969

  日期：2020.5.15

  diffraction analysis. This species is stereochemically nonrigid in solution and possesses a cyclo-Sn4 core whose DMP substituents are equivalent at higher temperatures. The solid-state molecular structure is remarkably unsymmetrical and possesses a nearly planar cyclo-Sn4 core. The DMP substituents are arranged such that three are approximately coplanar, while one is nearly perpendicular to the cyclo-Sn4

  通过用各种还原剂还原[DMPSnCl] 2，已经制备了完全由（芳基）Sn单元[DMPSn] 4（DMP = 2,6-二甲硅烷基苯基）组成的四聚体簇。该簇在溶液中通过多核NMR光谱表征，在固态中通过单晶X射线衍射分析表征。该物种在溶液中在立体化学上是非刚性的，并具有一个环Sn4核，其DMP取代基在较高温度下是等效的。固态分子结构显着不对称，并具有接近平面的环Sn4核。DMP取代基的排列应使三个近似共面，而一个则几乎垂直于环Sn4核。
• Monomeric, two-coordinate Mn, Fe and Co(<scp>ii</scp>) complexes featuring 2,6-(2,4,6-trimethylphenyl)phenyl ligands
  作者：Deborah L. Kays (née Coombs)、Andrew R. Cowley

  DOI：10.1039/b616584b

  日期：——

  The synthesis and characterization of the monomeric, two-coordinate transition-metal complexes (2,6-Mes(2)C(6)H(3))(2)M (Mes = mesityl, 2,4,6-Me(3)C(6)H(2), M = Mn, Fe, Co) are reported; (2,6-Mes(2)C(6)H(3))(2)Co is the first structurally authenticated two-coordinate, homoleptic cobalt(II) complex featuring sigma-bonded aryl ligands.

  单体和二配位过渡金属配合物（2,6-Mes（2）C（6）H（3））（2）M（Mes = mesityl，2,4,6-Me（ 3）C（6）H（2），M = Mn，Fe，Co）的报道; （2,6-Mes（2）C（6）H（3））（2）Co是第一个以sigma键合的芳基配体为特征的结构认证的二配位纯合钴（II）配合物。
• Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands
  作者：Benjamin M. Gridley、Toby J. Blundell、Graeme J. Moxey、William Lewis、Alexander J. Blake、Deborah L. Kays

  DOI：10.1039/c3cc46384b

  日期：——

  The reaction between sterically demanding m-terphenyl lithiate complexes and cadmium dihalides yields unusual cubanes where changes in ligand bulk afford different formulations, in particular a rare heterodicubane structure.

  在空间上需要的间苯二甲酸间苯三酯络合物与二卤化镉之间的反应产生了不寻常的古巴，其中配体体积的变化提供了不同的配方，特别是稀有的异二古巴结构。
• Metall-π-Aren-Wechselwirkungen in den Kristallstrukturen von zwei Lewis-Donor-freien Arylbis(cyclopentadienyl)lanthanoiden
  作者：Mark Niemeyer、Sven-Oliver Hauber

  DOI：10.1002/(sici)1521-3749(199901)625:1<137::aid-zaac137>3.0.co;2-c

  日期：1999.1

  Reaktion von LiAr* mit Yb(C5H4Me)3 oder SmCp3 in Toluol erhalten. Nach dem Ergebnis der Rontgenstrukturanalysen weisen die Lanthanoidatome η5-Koordination zu den Cyclopentadienyl-Liganden und η1-Koordination zu den ipso Kohlenstoffatomen der Arylreste auf. Zusatzliche π-Aren Wechselwirkungen zu einer Mesitylgruppe bedingen eine unterschiedliche Pyramidalisierung des Metallatoms, welche von der Grose

  Rotes Ar*Yb(C5H4Me)2 (1) and oranges Ar*SmCp2 (2) (Ar* = 2,6-Mes2C6H3) w​​urden durch Reaktion von LiAr* mit Yb(C5H4Me)3 oder SmCp3 in Toluol erhalten。Nach dem Ergebnis der Rontgenstrukturanalysisn weisen die Lanthanoidatome η5-Koordination zu den Cyclopentadienyl-Liganden 和 η1-Koordination zu den ipso Kohlenstoffatomen der Arylreste auf。Zusatzliche π-Aren Wechselwirkungen zu einer Mesitylgruppe Bedingen
• Synthesis and Characterization of Sterically Encumbered Derivatives of Aluminum Hydrides and Halides:  Assessment of Steric Properties of Bulky Terphenyl Ligands
  作者：Rudolf J. Wehmschulte、Warren J. Grigsby、Berthold Schiemenz、Ruth A. Bartlett、Philip P. Power

  DOI：10.1021/ic960486d

  日期：1996.1.1

  The synthesis and characterization of several sterically encumbered monoterphenyl derivatives of aluminum halides and aluminum hydrides are described. These compounds are [2,6-Mes(2)C(6)H(3)AlH(3)LiOEt(2)](n) (1), (Mes = 2,4,6-Me(3)C(6)H(2)-), 2,6-Me(2)C(6)H(3)AlH(2)OEt(2) (2), [2,6-Mes(2)C(6)H(3)AlH(2)](2) (3), 2,6-Mes(2)C(6)H(3)-AlCl(3)LiOEt(2)](n) (4), [2,6-Mes(2)C(6)H(3)-AlCl(3)LiOEt(2)](n)], (5), [2,6-Mes(2)C(6)H(3)AlCl(2)](2) (6), TriphAlBr(2)OEt(2) (7), (Triph = 2,4,6-Ph(3)C(6)H(2)-), [2,6-Trip(2)C(6)H(3)-AlH(3)LiOEt(2)](2) (8) (Trip = 2,4,6-i-Pr3C6H2-), 2,6-Trip(2)C(6)H(3)AlH(2)OEt(2) (9), [2,6-Trip(2)C(6)H(3)AlH(2)](2) (10), 2,6-Trip(2)C(6)H(3)AlCl(2)OEt(2) (11), and the partially hydrolyzed derivative [2,6-Trip(2)C(6)H(3)Al(Cl)(0.68)(H)(0.32)(mu-OH)(2) . 2C(6)H(6) (12). The structures of 2, 3a, 4, 6, 7, 9a, 10a, 10b, 11, and 12 were determined by X-ny crystallography. The structures of 3a, 9a, 10a, and 10b, are related to 3, 9, and 10, respectively, by partial occupation of chloride or hydride by hydroxide. The compounds were also characterized by H-1, C-13, Li-7, and Al-27 NMR and IR spectroscopy. The major conclusions from the experimental data are that a single ortho terphenyl substituent of the kind reported here are not as effective as the ligand (Mes* (Mes* = 2,4,6-t-Bu(3)C(6)H(2)-) in preventing further coordination and/ or aggregation involving the aluminum centers. in effect, one terphenyl ligand is not as successful as a Mes* substituent in masking the metal through agostic and/or steric effects.