dichlorido(2-((dimethylamino)methyl)phenyl-κ2C,N)aluminium(III)

• 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: dichlorido(2-((dimethylamino)methyl)phenyl-κ2C,N)aluminium(III)
• 英文别名: dichloro-[2-[(dimethylamino)methyl]phenyl]aluminium；(2-[(dimethylamino)methyl]phenyl)AlCl2；Al(κ2-C,N-NMe2CH2C6H4)Cl2；(2-Me2NCH2C6H4)AlCl2；1-(2-dichloroalumanylphenyl)-N,N-dimethylmethanamine
• 化学式: C₉H₁₂AlCl₂N
• 分子量: 232.089
• InChiKey: QBVKTJXESLEZMX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  dichlorido(2-((dimethylamino)methyl)phenyl-κ2C,N)aluminium(III) 、 sodium cyclopentadienide 以 甲苯 为溶剂， 以93.9%的产率得到bis(cyclopentadienyl)(2-((dimethylamino)methyl)phenyl-κ2C,N)aluminium(III)
  参考文献：
  名称：

  安莎-Zirconocenes与铝或镓的桥连位

  摘要：

  （Pytsi）ECp 2类型的双（环戊二烯基）铝和-镓物种[E = Al（2a），Ga（2b）; 由NaCp和相应的二氯化物（Pytsi）ECl 2制备了Pytsi = C（SiMe 3）2 SiMe 2（2-C 5 H 4 N）] ，分离产率为65％（2a）和83％（2b）。除了应用标准的表征方法（NMR光谱，CHN分析和MS）外，两种化合物的分子结构都通过单晶X射线晶体学解决。之间的反应图2a或2b的与锆（NME 2）4在苯中，随后加入过量的ClSiMe的3，给所述第一柄与铝（-zirconocene二氯4A）或镓（图4b中的桥接位置）。分离出镓化合物4b，产率为40％，并通过NMR光谱，CHN分析和质谱进行表征。不能以分析纯的形式获得铝物质4a；因此，不能得到铝4a。用NMR光谱对其进行表征，并通过单晶X射线分析确定其分子结构。发现4a中Cp配体的两个平面之间的夹角为57.17（11）°，大于Cp

  DOI：

  10.1021/om100788d
• 作为产物：
  描述：

  dichloro[2-[(dimethylamino)methyl]phenyl](tetrahydrofuran)aluminium 以 neat (no solvent, solid phase) 为溶剂， 以100%的产率得到dichlorido(2-((dimethylamino)methyl)phenyl-κ2C,N)aluminium(III)
  参考文献：
  名称：

  Mueller, Jens; Englert, Ulli, Chemische Berichte, 1995, vol. 128, # 5, p. 493 - 498

  摘要：

  DOI：

文献信息

• Ferrocenylalanes:  Solid-State and Solution Structures of Some New Aluminum-Bridged <i>ansa</i>-Ferrocenes
  作者：Holger Braunschweig、Christian Burschka、Guy K. B. Clentsmith、Thomas Kupfer、Krzysztof Radacki

  DOI：10.1021/ic0501925

  日期：2005.7.1

  Addition of dilithiated ferrocene to AlEt2Cl and Al(kappa2-C,NNMe2CH2C6H4)Cl2 yields the trimeric ferrocenyl derivative 1 and the dimeric [1,1']-ferrocenophane 2, respectively. Solution spectroscopy is consistent with the solid-state structures, which reveal unusual and unprecedented bonding around the aluminum centers.

  在AlEt2Cl和Al（kappa2-C，NNMe2CH2C6H4）Cl2中添加二片化二茂铁分别产生三聚体二茂铁基衍生物1和二聚[1,1']-二茂铁基环戊烷2。溶液光谱与固态结构一致，固态结构揭示了铝中心周围异常且空前的结合。
• Synthesis, Characterization, and Electrochemical Studies on [1.1]Ferrocenophanes Containing Aluminum, Gallium, and Indium
  作者：Jörg A. Schachner、Grzegorz A. Orlowski、J. Wilson Quail、Heinz-Bernhard Kraatz、Jens Müller

  DOI：10.1021/ic051616y

  日期：2006.1.1

  The synthesis, characterization, structure, and electrochemistry of [1.1]ferrocenophanes, bridged by the heavier group 13 elements aluminum (1a), gallium (1b), and indium (1c), are described and discussed. Compounds 1a-c have been synthesized from dilithioferrocene and intramolecularly coordinated group 13 element dihalides Ar'EX(2) (Ar' = 2-(Me(2)NCH(2))C(6)H(4); EX(2) = AlCl(2), GaCl(2), InI(2))

  描述和讨论了由较重的第13组元素铝（1a），镓（1b）和铟（1c）桥接的[1.1]二茂铁磷烯的合成，表征，结构和电化学。化合物1a-c由二硫代二茂铁和分子内配位基团13元素二卤化物Ar'EX（2）（Ar'= 2-（Me（2）NCH（2））C（6）H（4）; EX（2 ）= AlCl（2），GaCl（2），InI（2））。尽管最近已经描述了通过单晶X射线分析法合成1a的方法和特征（Braunschweig，H .; Burschka，C .; Clentsmith，GKB; Kupfer，T .; Radacki，K.Inorg。Chem。2005，44 ，4906），化合物1b和1c首次被描述。通过单晶X射线测定[1b：C（38）H（40）Fe（2）Ga（2）N（2）表征了加拉（1b）和inda（1c）[1.1]二茂铁oph烷。单斜，P2（1）/ c，a = 10。3467（5）埃，b =
• Synthesis and Characterization of Aluminum- and Gallium-Bridged [1.1]Chromarenophanes and [1.1]Molybdarenophanes
  作者：Clinton L. Lund、Jörg A. Schachner、Ian J. Burgess、J. Wilson Quail、Gabriele Schatte

  DOI：10.1021/ic800336f

  日期：2008.7.7

  The synthesis and structural characterization of the first [1.1]chromarenophanes and the first [1.1]molybdarenophanes are described. A salt-metathesis reaction of [2-(Me2NCH2)C6H4]AlCl2 with freshly prepared [Cr(LiC6H5)(2)] center dot TMEDA (TMEDA = N,N,N',N'-tetramethylethylenediamine) resulted in the dial umina[1.1]chromarenophane [2-(Me2NCH2)-C6H4)Al(eta(6)-C6H5)(2)Cr](2) (2a). The poor solubility of 2a in organic solvents prompted us to synthesize the new intramolecularly coordinated aluminum- and gallium dichlorides [5-tBu-2-(Me2NCH2)C6H3]ECl2 [E = Al (3a), Ga (3b)] in which the phenyl group was equipped with a tert-butyl group. Salt-metathesis reactions of 3a and 3b, respectively, with freshly prepared [M(LiC6H5)(2)] center dot TMEDA (M = Cr, Mo) resulted in four new [1.1]metallarenophanes of the general type [5-tBu-2-(Me2NCH2)C6H3)E(eta(6)-C6H5)(2)M](2) [E = Al, M = Cr (4a); E = Ga, M = Cr (4b); E = Al, M = Mo (5a); E = Ga, M = Mo (5b)]. 2a, 4a,b, and 5a,b have been structurally characterized by single-crystal analysis [2a center dot 1/2C(6)H(12): C48H56Al2Cr2N2%, monoclinic, P2(1/c), a = 9.9117(9)angstrom, b = 19.9361(16) angstrom, c = 10.638(2) angstrom, alpha = 90 degrees, beta = 112.322(5)degrees, gamma = 90 degrees, Z = 2; 4a center dot 2C(6)H(6): C62H72Al2Cr2N2, monoclinic, P2(1/c), a = 10.9626(9) angstrom , b = 19.3350(18) angstrom, c = 12.4626(9) angstrom, alpha = 90 degrees, beta = 100.756(5)degrees, gamma = 90 degrees, Z = 2; 4b center dot 2C(6)H(6): C62H72Cr2Ga2N2, monoclinic, P2(1/c), a = 10.8428(2) angstrom, b 19.4844(4) angstrom, c = 12.4958(2) angstrom, alpha = 90 degrees, beta = 100.6187 degrees, gamma = 90 degrees, Z = 2; 5a.2C(6)H(6): C62H72Al2Mo2N2, triclinic, P (1) over bar, a = 10.4377(4) angstrom, b = 11.6510(4) angstrom, c = 11.6514(4) angstrom, alpha = 73.545(3)degrees, beta = 89.318(2)degrees, gamma = 76.120(2)degrees, Z = 1; 5b center dot 2C(6)H(6): C62H72Ga2Mo2N2, triclinic, P (1) over bar, a = 10.3451(5) angstrom, b = 11.6752(6) angstrom, c = 11.6900(5) angstrom, alpha = 73.917(3)degrees, beta = 89,550(3)degrees, gamma = 76.774(2)degrees, Z = 1]. All five [1.1]metallarenophanes 2a, 4a,b, and 5a,b crystallize as anti isomers with both Me2N donor groups in exo positions (C-i point group symmetry), The new [1.1] metallarenophanes show NMR spectra that can be interpreted as being caused by time-averaged C-2h symmetrical species, which is consistent with the findings of their molecular structures in the solid state. Variable-temperature H-1 NMR measurements for 4a,b and 5a,b (500 MHz; -90 to 90 degrees C) revealed only peak broadening in the lower temperature range of -70 to -90 degrees C. 1H NMR saturation transfer difference experiments did not show an expected anti-to-anti isomerization, rendering the new [1, 1]metallacyclophanes rigid on the NMR time scale.Electrochemical measurementswere performed for 4a,b and 5a,b. However, reproducible cyclic voltammograms could only be obtained for the two gallium species 4b and 5b, revealing the expected weak communication between the two transition-metal atoms in both compounds (class II).
• Molecular Structure of [CpFe(CO)₂]₂AlAr (Ar = 2-[(Dimethylamino)methyl]phenyl):  An Alanediyl Complex with Two Fe−Al Bonds
  作者：Holger Braunschweig、Jens Müller、Beate Ganter

  DOI：10.1021/ic960471f

  日期：1996.1.1

  Two new Fe-Al complexes ArAl[CpFe(CO)(2)]Cl (1) and ArAl[CpFe(CO)(2)](2) (2) (Ar = 2-[(dimethylamino)methyl]phenyl), respectively, were synthesized by the reaction of ArAlCl2 with 1 or 2 equiv of Na[CpFe(CO)(2)]. The structures of these products were deduced from NMR (H-1, C-13, Al-27) and IR measurements and are confirmed by X-ray structural determination of 2.
• <i>ansa</i>-Zirconocenes with Aluminum or Gallium in Bridging Positions
  作者：Clinton L. Lund、Samuel S. Hanson、Gabriele Schatte、J. Wilson Quail、Jens Müller

  DOI：10.1021/om100788d

  日期：2010.11.22

  solved by single-crystal X-ray crystallography. Reactions between 2a or 2b with Zr(NMe2)4 in benzene, followed by addition of an excess of ClSiMe3, gave the first ansa-zirconocene dichlorides with aluminum (4a) or gallium (4b) in bridging position. The gallium compound 4b was isolated in a yield of 40% and characterized by NMR spectroscopy, CHN analysis, and mass spectrometry. The aluminum species 4a

  （Pytsi）ECp 2类型的双（环戊二烯基）铝和-镓物种[E = Al（2a），Ga（2b）; 由NaCp和相应的二氯化物（Pytsi）ECl 2制备了Pytsi = C（SiMe 3）2 SiMe 2（2-C 5 H 4 N）] ，分离产率为65％（2a）和83％（2b）。除了应用标准的表征方法（NMR光谱，CHN分析和MS）外，两种化合物的分子结构都通过单晶X射线晶体学解决。之间的反应图2a或2b的与锆（NME 2）4在苯中，随后加入过量的ClSiMe的3，给所述第一柄与铝（-zirconocene二氯4A）或镓（图4b中的桥接位置）。分离出镓化合物4b，产率为40％，并通过NMR光谱，CHN分析和质谱进行表征。不能以分析纯的形式获得铝物质4a；因此，不能得到铝4a。用NMR光谱对其进行表征，并通过单晶X射线分析确定其分子结构。发现4a中Cp配体的两个平面之间的夹角为57.17（11）°，大于Cp