bis[2,4,6-tri(tert-butyl)phenyl]gallium chloride | 153092-78-5

• 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: bis[2,4,6-tri(tert-butyl)phenyl]gallium chloride
• 英文别名: chlorobis-(2,4,6-tri-t-butylphenyl)gallane；(2,4,6-tBu3C6H2)2GaCl；Chlorobis(2,4,6-tri-tert-butylphenyl)gallane；chloro-bis(2,4,6-tritert-butylphenyl)gallane
• CAS: 153092-78-5
• 化学式: C₃₆H₅₈ClGa
• 分子量: 596.033
• InChiKey: FJQGSZCWGWWPOU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.82
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  bis[2,4,6-tri(tert-butyl)phenyl]gallium chloride 、 sodium thiomethoxide 以 四氢呋喃 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Wehmschulte, Rudolf J.; Ruhlandt-Senge, Karin; Power, Philip P., Inorganic Chemistry, 1995, vol. 34, # 10, p. 2593 - 2599

  摘要：

  DOI：
• 作为产物：
  描述：

  氯化镓 、 2,4,6-tri-tert-butylphenyllithium 以 正己烷 为溶剂， 以43%的产率得到bis[2,4,6-tri(tert-butyl)phenyl]gallium chloride
  参考文献：
  名称：

  Meller, Anton; Pusch, Stefan; Pohl, Ehmke, Chemische Berichte, 1993, vol. 126, # 10, p. 2255 - 2258

  摘要：

  DOI：

文献信息

• Synthesis and characterization of 1,3-bis[2,4,6-tri(tert-butyl)phenyl]-2,4-bis[tri(tert-butyl)silyl]-1,3-diinda-2,4-diphosphetane, a dimeric phosphanylidene indane with three-coordinate indium and phosphorus atoms
  作者：Thomas Rotter、Alexander N. Kneifel、Peter Mayer、Matthias Westerhausen

  DOI：10.1016/j.inoche.2005.06.006

  日期：2005.9

  tri(tert-butyl)silylphosphanide with bis[2,4,6-tri(tert-butyl)phenyl]indium bromide gives (2,4,6-tBu3C6H2)2In–P(H)SitBu3 (1a), the subsequent elimination of tri(tert-butyl)benzene yields [(2,4,6-tBu3C6H2)In–PSitBu3]2 (2a) which can be regarded as a dimeric phosphanylidene indane. The X-ray structure confirms the dimeric nature of this 1,3-diinda-2,4-diphosphetane with three-coordinate indium and phosphorus

  摘要 三(叔丁基)甲硅烷基磷化钾与双[2,4,6-三(叔丁基)苯基]溴化铟的复分解反应得到(2,4,6-tBu3C6H2)2In-P(H)SitBu3 ( 1a)，随后消除三（叔丁基）苯产生 [(2,4,6-tBu3C6H2)In-PSitBu3]2 (2a)，可将其视为二聚亚膦基茚满。X 射线结构证实了这种具有三配位铟和磷原子以及 250 pm 的短 In-P 键长的 1,3-diinda-2,4-diphosphetane 的二聚体性质。与镓衍生物和较小的三异丙基甲硅烷基磷化钾的类似反应导致形成具有三配位镓和磷原子的单体 (2,4,6-tBu3C6H2)2Ga-P(H)SiiPr3 (1b)。
• Transmetalation Reactions of Sterically Encumbered Gallium and Indium Halides with Tetrahydrometalates. Synthesis and Structure of a Base-Free Monomeric Aluminum Hydride
  作者：Alan H. Cowley、Harold S. Isom、Andreas Decken

  DOI：10.1021/om00005a067

  日期：1995.5

  The reaction of(Ar*)(2)GaCl or (Ar*)(2)InCl (Ar* = 2,4,6-t-Bu(3)C(6)H(2)) with LiAlH4 resulted in transmetalation and formation of (Ar*)(2)AlH (6), the first example of a structurally authenticated monomeric base-free aluminum hydride. An. X-ray crystallographic study revealed that the monomeric nature of the new hydride is due to the shielding of the AI-H moiety by o-t-Bu groups of the aryl ligands. Crystal data for 6: space group P2(1)/c, a = 10.024(2) Angstrom, b = 29.745(4) Angstrom, c = 11.459(1) Angstrom, beta = 94.87(1)degrees, V = 3404(2) Angstrom(3), Z = 4. The X-ray crystal structure of (Ar*)(2)InCl (5) has also been determined. Crystal data for 5: space group P2(1)/c, a = 10.328(2) Angstrom, b = 22.924(2) Angstrom, c = 16.091(1) Angstrom, beta = 107.34(1)degrees, V = 3636.6(8) Angstrom(3), Z = 4.
• Wehmschulte, Rudolf J.; Ruhlandt-Senge, Karin; Power, Philip P., Inorganic Chemistry, 1995, vol. 34, # 10, p. 2593 - 2599
  作者：Wehmschulte, Rudolf J.、Ruhlandt-Senge, Karin、Power, Philip P.

  DOI：——

  日期：——
• Cowley, Alan H.; Gabbai, Francois P.; Isom, Harold S., Angewandte Chemie, 1994, vol. 106, p. 1354 - 1356
  作者：Cowley, Alan H.、Gabbai, Francois P.、Isom, Harold S.、Carrano, Carl J.、Bond, Marcus R.

  DOI：——

  日期：——
• Synthesis, Structure, and Spectroscopic Characterization of Unassociated Mono-, Di- and Triamido Derivatives of Aluminum and Gallium
  作者：Penelope J. Brothers、Rudolf J. Wehmschulte、Marilyn M. Olmstead、Karin Ruhlandt-Senge、Sean R. Parkin、Philip P. Power

  DOI：10.1021/om00019a040

  日期：1994.7

  As part of a study of the possible existence of pi-interactions in Al-N or Ga-N bonds, the synthesis and spectroscopic and structural characterization of several unassociated amido derivatives of aluminum and gallium are described. The compounds Mes*GaClN(H)Ph}.0.25 (hexane), 1, Mes*2GaN(H)Ph, 2, MesAlN(SiMe3)2}2, 3, Mes*Ga(NHPh)2, 4, and ClGaN(SiMe3)2}2,5 (Mes = 2,4,6-Me3C6H2, Mes* = 2,4,6-t-Bu3C6H2) were synthesized by simple salt elimination procedures and characterized by H-1 and C-13 NMR and X-ray crystallography. In addition, the X-ray crystal structures of the previously reported triamido compounds AlN(iPr)213,6, and GaN(SiMe3)2}3,7, are described. The Al-N and Ga-N distances in 1-7 fall within the narrow limits 1.790(4)-1.809(2) and 1.829(9)-1.874(4) angstrom, respectively, which are within the previously known range for bonds between three-coordinate nitrogen and three-coordinate aluminum or gallium. Dynamic behavior in the H-1 and C-13 NMR spectra of 2 and 3 was also observed, with a barrier near 11 kcal mol-1 being estimated in both molecules. The structural and dynamic NMR data suggest that any pi-interactions in the M-N bonds are rather weak and are of the order of 10 kcal mol-1. Crystal data at 130 K with Mo Kalpha (4, 6, 7, lambda = 0.710 73 angstrom) or Cu Kalpha (1-3, 5, lambda = 1.541 78 angstrom) radiation: (1) C25.5H38.5ClGaN, a = 9.421(2) angstrom, b = 14.413(2) angstrom, c = 18.967(3) angstrom, alpha = 87.88(2)degrees, beta = 79.22(2)degrees, gamma = 80.66(2)degrees, triclinic, space group P1BAR, Z = 4, R = 0.083 for 3867 (I > 3sigma(I)) reflections; (2) C42H64GaN, a = 9.945(2) angstrom, b = 11.245(2) angstrom, c = 17.825(2) angstrom, alpha = 87.28(2)degrees, beta = 85.73(2)degrees, gamma = 79.25(2)degrees, space group P1BAR, Z = 2, R = 0.054 for 4155 (I > 2osigma(I)) reflections; (3) C21H47AlN2Si4, a = 13.403(3) angstrom, b = 16.651(2) angstrom, c = 26.061(5) angstrom, beta = 91.46(2)degrees, monoclinic, space group C2/c, Z = 8, R = 0.035 for 2992 (I > 2sigma(I)) reflections; (4) C30H30GaN2, a = 20.346(4) angstrom, b = 11.696(3) angstrom, c = 13.565(3) A, beta = 123.17(2)degrees, monoclinic, space group C2/c, Z = 4, R = 0.066 for 1707 (I > 3sigma(I)) reflections; (5) C12H36ClGaN2Si4, a = 11.657(3) angstrom, b = 12.677(2) angstrom, c = 15.831(3) angstrom, orthorhombic, space group P2(1)2(1)2(1), Z = 4, R = 0.040 for 2577 (I > 3sigma(I)) reflections; (6) C18H42AlN3, a = 7.803(6) angstrom, b = 16.590(12) angstrom, c = 17.397(14) angstrom, alpha = 102.68(5), beta = 90.67(5)degrees, gamma = 96.67(5)degrees, triclinic, space group P1BAR, Z = 4, R = 0.071 for 4311 (I > 2simga(I)) data; (7) C18H54GaN3Si6, a = 16.008(3) angstrom, c = 8.444(2) angstrom, trigonal, space group P31cBAR, Z = 2, R = 0.059 for 718 (I > 3sigma(I)) reflections.