trimesitylaluminum | 58336-22-4

• 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: trimesitylaluminum
• 英文别名: AlMes₃；trimesitylaluminium
• CAS: 58336-22-4
• 化学式: C₂₇H₃₃Al
• 分子量: 384.541
• InChiKey: VFNHUKAYAKVJSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  trimesitylaluminum 在 NH₃ 作用下， 以 正己烷 为溶剂， 以73%的产率得到azane;tris(2,4,6-trimethylphenyl)alumane
  参考文献：
  名称：

  Belgardt, Thomas; Storre, Jens; Klemp, Andreas, Journal of the Chemical Society, Dalton Transactions, 1995, p. 3747 - 3752

  摘要：

  DOI：
• 作为产物：
  描述：

  Oxolane;tris(2,4,6-trimethylphenyl)alumane 生成 trimesitylaluminum
  参考文献：
  名称：

  Seidel, W., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：

文献信息

• Group 13-derived radicals from α-diimines <i>via</i> hydro- and carboalumination reactions
  作者：Alexander Bodach、Karlee L. Bamford、Lauren E. Longobardi、Michael Felderhoff、Douglas W. Stephan

  DOI：10.1039/d0dt02498h

  日期：——

  mechanochemical synthesis of tertiary and secondary alanes AlR3 (R = Np 1 or Mes 2; HAlR2 R = Np 3 or Mes 4) is described. These species are reacted with several α-diimines to give a series of aluminium-derived radicals of the form [(diimine)AlR2]˙ (6–11). EPR and several crystallographic studies are reported. These species are thought to form via hydro- or carboalumination and subsequent elimination reactions

  描述了叔和仲丙氨酸AlR 3（R = Np 1或Mes 2 ; HAlR 2 R = Np 3或Mes 4）的机械化学合成。这些物质与几种α-二亚胺反应，生成一系列[[diimine）AlR 2 ]˙（6-11）形式的铝衍生基团。EPR和一些晶体学研究已报道。据认为，这些物种是通过加氢或碳铝化和随后的消除反应形成的。次要产品C 12 H 7（NHDipp）（NDipp）Al i Bu 2的结构数据支持此视图5和C 13 H 8（C（i Bu）N（m -Xy）（NH（m -Xy）））Al i Bu 2 12。另外，（C 6 F 5）2 B（OC（C 6 F 5）OC 12 H 8）的表征表明，这种碳硼化途径也提供了相关的硼衍生基团的途径。
• A Novel Approach for the Stabilization and Structural Characterization of Group 13 Organometallic Hydroxides:  The Way to Well Defined Crystalline Methylalumoxanes
  作者：Jens Storre、Christoph Schnitter、Herbert W. Roesky、Hans-Georg Schmidt、Mathias Noltemeyer、Roland Fleischer、Dietmar Stalke

  DOI：10.1021/ja970458+

  日期：1997.8.1

  (Mes2AlOLi)2·4THF (4), (Ph2AlOLi)3·6THF (5), and (Me2AlOLi)4·7THF·LiCl (6). The molecular structures of compounds 1, 2, 4, 5, and 6 have been determined by X-ray structure analysis. Whereas 2 undergoes metathesis reactions, compounds 1, 3, 4, 5, and 6 are stable at room temperature. Compound 6 is the first structurally characterized intermediate on the pathway to cocatalytically active methylalumoxane

  已发现 R3M 的受控水解产物（M = Al、Ga；R = Mes、Ph、Me）可通过使用烷基锂试剂的去质子化反应进行稳定。(Mes3Ga·OHLi)·3THF (1) 和 (Mes3Al·OHLi)·3THF (3) 分别由 LiOH 与 Mes3Ga 和 Mes3Al 反应合成。由水和 R3M 反应产生的氢氧化物 (R2MOH)n 用 RLi (R = tBu, Me) 去质子化，得到 (Mes2GaOLi)2·4THF (2), (Mes2AlOLi)2·4THF (4), ( Ph2AlOLi)3·6THF (5) 和 (Me2AlOLi)4·7THF·LiCl (6)。化合物 1、2、4、5 和 6 的分子结构已通过 X 射线结构分析确定。2 发生复分解反应，而化合物 1、3、4、5 和 6 在室温下是稳定的。化合物 6 是在茂金属催化的烯烃聚合反应中使用的共催化活性甲基铝氧烷的
• The Nature of Chemical Bonding in Lewis Adducts as Reflected by ²⁷Al NMR Quadrupolar Coupling Constant: Combined Solid-State NMR and Quantum Chemical Approach
  作者：Libor Kobera、Jiri Czernek、Sabina Abbrent、Hana Mackova、Lukas Pavlovec、Jan Rohlicek、Jiri Brus

  DOI：10.1021/acs.inorgchem.8b01009

  日期：2018.6.18

  which are attributed to tetra-coordinated aluminum species (Lewis adducts with trigonal pyramidal geometry). The cause of this unusual behavior is explored by analyzing the natural bond orbitals and complexation energies. The linear correlation between the quadrupolar coupling constant value and the nature of bonds in the Lewis adducts is revealed. Moreover, the 27Al NMR data are shown to be sensitive

  路易斯酸和路易斯加合物因其高催化活性而广泛用于化学工业。它们的精确几何描述和对电子结构的理解是有针对性的合成和特定用途的关键步骤。在本文中，我们提出了一种基于固态NMR晶体学方法的实验/计算策略，该方法可以对各种化学性质相差很大的有机铝化合物进行详细的结构表征。特别是，我们专注于许多不同27的精确测量和随后的量子化学分析在1至50 MHz的极宽四极耦合常数范围内进行Al NMR共振。在这方面，我们优化了结合一系列静态和魔术角旋转实验的实验策略，从而可以可靠地检测三水铝（AlMes 3）反应产物中存在的整套铝位。通过这种方法，我们在光谱上解析了所得多晶混合物中的六种不同产物。所有27 Al NMR共振均通过量子化学方法精确记录并进行了全面分析。有趣的是，在某些情况下，记录的27Al固态NMR光谱显示出出乎意料的四极偶合常数值，最高可达约。30 MHz，归因于四配位的铝物种（具有三角锥几何形状
• Organoaluminum and -gallium Thiolates. 1. Synthetic and X-ray Structural Studies
  作者：Majid Taghiof、Mary Jane Heeg、Marcia Bailey、David G. Dick、Rajesh Kumar、D. Greg Hendershot、Hamid Rahbarnoohi、John P. Oliver

  DOI：10.1021/om00006a040

  日期：1995.6

  Organoaluminum and -gallium thiolates are prepared in high yield by the reaction of triorganoaluminum and -gallium derivatives with thiols. In this way, [Mes(2)Al(mu-SBz)](2) (Mes = 2,4,6-Me(3)C(6)H(2); Bz = CH2C6H5) (1), [Me(2)Al(mu-SSiPh(3))](2) (2), [Mes(2)Al(mu-SPh)](2) (3), Me(2)Al[mu-S(2-t-BUC6H4)]}(3) (4), Me(2)Al[mu-S(2-Me(3)Si)C6H4]}(3) (5), Me(2)Al[mu-S(2-i-PrC6H4)]}(3) (6), i-Bu(2)Al[mu-S(2,4,6-i-Pr3C6H2)]}(3) (7), Me(2)Al[mu-S(2,6-Me(2)C(6)H3)]}(4) (8), and Me(2)Ga[mu-S(2,6-Me(2)C(6)H(3))]}(4) (9) were prepared and crystallographically characterized. The dimethyl- and dimesitylaluminum thiolates 1-3 were determined to be dimeric with four-membered (AlS)(2) rings. The structure of 1 was determined in space group P2(1)/n (No. 14): a 10.666(4) Hi, b = 12.268(2) Angstrom, c = 17.793(3) Angstrom, beta = 106.94(2)degrees, Z = 4, R = 6.7%, and R(w) = 6.1%. The structures of 2 and 3 were determined in space group P (1) over bar (No. 2): a = 9.077(2) Angstrom, b = 13.847(3) Angstrom, c = 16.724(4) Angstrom, alpha = 101.08(2)degrees, beta = 95.34(2)degrees, gamma = 103.38(2)degrees, Z = 2(dimers), R = 5.2%, and R(w) = 5.1% for 2, and a = 11.068(5) Angstrom, b = 12.470(3) Angstrom, c = 17.654(5) Angstrom, alpha = 90.97(2)degrees, beta = 107.77(3)degrees, gamma = 112.23(3)degrees, Z = 4, R = 5.9%, and R(w) = 4.8% for 3. The dialkylaluminum thiolates, 4-7, were found to be trimeric in the solid state. The structure of 4 was determined in space group P2(1)/c (No. 14), a = 9.324(7) Angstrom, b = 18.632(5) Angstrom, c = 23.959(9) Angstrom, beta = 98.31(5)degrees, Z = 4 (trimers), R = 7.6%, and R(w) 5.2%; 5 in space group P (1) over bar (No. 2), a = 10.149(4) Angstrom, b = 14.427(5) Angstrom, c = 15.159(4) Angstrom, alpha = 88.19(3)degrees, beta = 89.39(3)degrees, gamma = 88.57(3)degrees, Z = 2 (trimers), R = 5.0%, and R(w) = 5.0%; 6 in space group P (1) over bar (No. 2), a = 12.538(5) Angstrom, b = 13.180(2) Angstrom, c = 13.873(2) Angstrom, alpha = 74.38(1)degrees, beta = 64.18(2)degrees, gamma = 69.44(2)degrees, Z = 2 (trimers), R = 5.2% and R(w) = 4.4%; and 7 in space group P2(1)/c (No. 14), a 13.935(2) Angstrom, b = 22.563(4) Angstrom, c = 25.044(4) Angstrom, beta = 101.44(1)degrees, Z = 4 (trimers), R = 12.5%, and R(w) = 14.2%. The sulfur atoms in 7 are in a planar environment. Compounds 8 and 9 are tetrameric with eight-membered (MS)(4) (M = Al, Ga) ring systems. They are isomorphous, and their structures were determined in space group P (1) over bar (No. 2). For 8 a = 8.555(1) Angstrom, b = 11.869(1) Angstrom, c = 12.688(1) Angstrom, alpha = 96.546(8)degrees, beta = 106.34(1)degrees gamma = 109.06(1)degrees, Z = 2, R = 5.0%, and R(w)= 5.2%, and for 9 a = 8.525(2) Angstrom, b = 11.805(3) Angstrom, c = 12.714(4) Angstrom alpha = 96.36(2)degrees, beta = 106.46(2)degrees, gamma = 108.90(2)degrees, Z = 2, R = 6.1%, and R(w) = 6.6%.
• Uhl, Werner; Koch, Matthias; Wagner, Juergen, Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Uhl, Werner、Koch, Matthias、Wagner, Juergen

  DOI：——

  日期：——