tris(2-methyl-2-phenylpropyl)gallane | 138667-97-7

• 英文名称: tris(2-methyl-2-phenylpropyl)gallane
• CAS: 138667-97-7
• 化学式: C₃₀H₃₉Ga
• 分子量: 469.363
• InChiKey: OAHSEPUVIKAVRE-UHFFFAOYSA-N

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：

  tris(2-methyl-2-phenylpropyl)gallane 以 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  Organogallium compounds containing the neophyl substituent. Crystal and molecular structure of trans-[(PhMe2CCH2)2GaN(H)(Pr)]2

  摘要：

  A series of organogallium compounds which contain the neophyl substituent including Ga(CH2CMe2Ph)3, Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) have been prepared in high yield by reactions typical of organogallium chemistry. The characterization data include elemental analyses, melting points, NMR and IR spectroscopic studies, and cryoscopic molecular weight studies. All data are consistent with the conclusions that Ga(CH2CMe2Ph)3 is monomeric in benzene solution whereas Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) are dimeric. The gallium amide [(PhMe2CCH2)2GaN(H)(Pr)]2 crystallizes in the centrosymmetric triclinic space group P1 (No. 2) with alpha = 10.739 (2) angstrom, b = 10.844 (2) angstrom, c = 11.125 (2) angstrom, alpha = 69.14 (1)-degrees, beta = 62.96 (1)-degrees, gamma = 76.74 (1)-degrees, V = 1074.7 (3) angstrom 3, and Z = 1. Diffraction data (Mo K-alpha, 2-theta = 5-50-degrees) were collected on a Siemens R3m/V automated four-circle diffractometer, and the structure was refined to R = 3.57% and wR = 3.46% for all 3803 unique reflections (R = 2.52%, wR = 2.62% for those 3111 data with \F(o)\ > 6-sigma(\F(o)\)). The molecule lies on a crystallographic inversion center and thus has a strictly planar Ga2N2 core. Distances of interest include Ga-CH2CMe2Ph = 1.992 (2) and 1.994 (3) angstrom and Ga-N(bridging) = 2.013 (2) and 2.029 (2) angstrom.

  DOI：

  10.1021/om00039a009
• 作为产物：
  描述：

  氯化镓 、 2-甲基-2-苯基丙基氯化镁 以 乙醚 为溶剂， 以74.1%的产率得到tris(2-methyl-2-phenylpropyl)gallane
  参考文献：
  名称：

  Organogallium compounds containing the neophyl substituent. Crystal and molecular structure of trans-[(PhMe2CCH2)2GaN(H)(Pr)]2

  摘要：

  A series of organogallium compounds which contain the neophyl substituent including Ga(CH2CMe2Ph)3, Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) have been prepared in high yield by reactions typical of organogallium chemistry. The characterization data include elemental analyses, melting points, NMR and IR spectroscopic studies, and cryoscopic molecular weight studies. All data are consistent with the conclusions that Ga(CH2CMe2Ph)3 is monomeric in benzene solution whereas Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) are dimeric. The gallium amide [(PhMe2CCH2)2GaN(H)(Pr)]2 crystallizes in the centrosymmetric triclinic space group P1 (No. 2) with alpha = 10.739 (2) angstrom, b = 10.844 (2) angstrom, c = 11.125 (2) angstrom, alpha = 69.14 (1)-degrees, beta = 62.96 (1)-degrees, gamma = 76.74 (1)-degrees, V = 1074.7 (3) angstrom 3, and Z = 1. Diffraction data (Mo K-alpha, 2-theta = 5-50-degrees) were collected on a Siemens R3m/V automated four-circle diffractometer, and the structure was refined to R = 3.57% and wR = 3.46% for all 3803 unique reflections (R = 2.52%, wR = 2.62% for those 3111 data with \F(o)\ > 6-sigma(\F(o)\)). The molecule lies on a crystallographic inversion center and thus has a strictly planar Ga2N2 core. Distances of interest include Ga-CH2CMe2Ph = 1.992 (2) and 1.994 (3) angstrom and Ga-N(bridging) = 2.013 (2) and 2.029 (2) angstrom.

  DOI：

  10.1021/om00039a009

文献信息

• The Dihydronaphthalene Elimination Reaction as a Route to Gallium−Nitrogen Compounds. Crystal and Molecular Structure of [(PhMe₂CCH₂)₂GaNHPh]₂
  作者：O. T. Beachley,、Matthew J. Noble、Melvyn Rowen Churchill、Charles H. Lake

  DOI：10.1021/om9801249

  日期：1998.7.1

  THF solution to give high yields of [(PhMe2CCH2)2GaNHR]2 (R = H, n-Pr, Ph), C10H10, and NaCl. In contrast, the elimination reactions between Ga(CH2CMe2Ph)3 with these same amines to form [(PhMe2CCH2)2GaNHR]2 and PhCMe3 require temperatures of 150 °C. The cyclopentadiene elimination reaction between (PhMe2CCH2)2Ga(C5H5) and aniline occurs at −10 °C and is the fastest of these three. An X-ray structural

  二氢萘衍生物Na 2 C 10 H 8 [Ga（CH 2 CMe 2 Ph）2 Cl] 2 }在室温下与NH 3，n -PrNH 2和PhNH 2在THF溶液中反应，得到高产率的[[ PhMe 2 CCH 2）2 GaNHR] 2（R = H，n -Pr，Ph），C 10 H 10和NaCl。相反，Ga（CH 2 CMe 2 Ph）3之间的消除反应与这些相同的胺形成[（PhMe 2 CCH 2）2 GaNHR] 2和PhCMe 3所需的温度为150°C。（PhMe 2 CCH 2）2 Ga（C 5 H 5）与苯胺之间的环戊二烯消除反应在-10°C发生，是这三个中最快的。[[（PhMe 2 CCH 2）2 GaNHPh] 2的X射线结构研究确定其为反式异构体。
• Gallium−Nitrogen Compounds Prepared By Dihydronaphthalene and Thermal Elimination Reactions. Crystal and Molecular Structures of [(PhMe₂CCH₂)₂GaNH(t-Bu)]₂ and [(H₄C₆)Me₂CCH₂]Ga[NH(t-Bu)]₂Ga(CH₂CMe₂Ph)₂
  作者：O. T. Beachley,、Matthew J. Noble、Melvyn Rowen Churchill、Charles H. Lake

  DOI：10.1021/om980492c

  日期：1998.11.1

  The dihydronaphthalene elimination reaction between Na-2[C10H8(GaR2Cl)(2)}] (R = CH2CMe3, CH2CMe2Ph) and t-BuNH2 provided a room-temperature route to [R2GaNH(t-Bu)](2). However, when Ga(CH2CMe2Ph)(3) and t-BuNH2 were reacted at 140-150 degrees C, C6H5CMe3 was eliminated and the product was [(H4C6)Me2CCH2]Ga[NH(t-Bu)](2)Ga(CH2CMe2Ph)(2), a gallium-(III) amide with one GaC4 metallocyclic ring, rather than [(PhMe2CCH2)(2)GaNH(t-Bu)](2). X-ray structural studies confirmed the identity of this novel compound as well as that of the typical dimer. When the reaction temperature was increased to 210-230 degrees C, the product was [(H4C6)Me2CCH2]Ga[NH(t-Bu)](2)Ga[CH2CMe2(C6H4)] a species with two GaC4 metallocyclic rings.
• Synthesis of an organogallium(I) compound [Ga(CH2CMe2Ph)]n with EPR spectral evidence for gallium clusters
  作者：O.T. Beachley、Matthew J. Noble、Robert D. Allendoerfer

  DOI：10.1016/s0022-328x(98)01182-6

  日期：1999.6

  The organogallium(I) compound [Ga(CH2CMe2Ph)](n) has been prepared by the reduction of Ga(CH2CMe2Ph)(2)Cl by using either sodium or lithium with naphthalene in THF. The yellow dihydronaphthalene gallium(III) intermediate M-2(C10H8[Ga(CH2CMe2Ph)(2)Cl](2)) initially formed at -78 degrees C but then decomposed at higher temperatures to form [Ga(CH2CMe2Ph)](n), Ga(CH2CMe2Ph)(3) and MCl. EPR spectra, which were recorded as the two yellow intermediates Na-2(C10H8[Ga(CH2CMe2R)(2)Cl](2)) (R = Ph, Me) decomposed, indicated the presence of radicals. The first and second derivatives of the EPR signals, line-widths, g-values and hyperfine coupling constants are consistent with the radicals being clusters of organogallium species. The experimental spectra were simulated by the superposition of two spectra, a single Gaussian shaped line with a peak-to-peak width of 14 mT (92%) with the spectrum of five equivalent gallium nuclei, A = 2.1 mT (8%). The even number of lines observed in the experimental spectra indicate an odd number of gallium nuclei with at least five bring required to give the number of observed lines. (C) 1999 Elsevier Science S.A. All rights reserved.