dineopentylgalliumchloride | 113976-09-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 金属烷基卤化物
• 英文名称: dineopentylgalliumchloride
• 英文别名: Chlorobis(2,2-dimethylpropyl)gallane；chloro-bis(2,2-dimethylpropyl)gallane
• CAS: 113976-09-3
• 化学式: C₁₀H₂₂ClGa
• 分子量: 247.461
• InChiKey: NHDHSMLZMNTJAK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  dineopentylgalliumchloride 在 Na/naphthalene 作用下， 以 四氢呋喃 为溶剂， 生成 dichloro(2,2-dimethylpropyl)gallane;oxolane
  参考文献：
  名称：

  Low Oxidation State Gallium Compounds Synthesis and Characterization of [Ga(CH2CMe3)]n

  摘要：

  The new organogallium(I) compound [Ga(CH2CMe3)]n has been prepared by the reduction of Ga(CH2CMes)2CI by using either sodium or lithium with naphthalene in THF. When the reagents were combined at -78-degrees-C, a yellow intermediate, a neopentylgallium(III) derivative of dihydronaphthalene C10H8[Ga(CH2CMe3)2]2.2MCl (M = Li, Na) was formed. Warming of the solution to 0-25-degrees-C resulted in decomposition of the yellow intermediate and formation of a reddish brown solution of [Ga(CH2CMe3)]n, Ga(CH2CMe3)3, C10H8, and either NaCl or LiCl. The gallium(I) product was a vitreous solid and was characterized by complete elemental analyses, hydrolyses with HCl/H2O and with DCl/D2O, oxidation with HgCl2 and with I2, cryoscopic molecular weight studies in benzene solution, and IR and NMR spectroscopic studies. All data support the conclusion that [Ga(CH2CMe3)]n exists as a mixture of species which are gallium cages. The numbers of gallium atoms in these cages might range from 6 to 12 atoms.

  DOI：

  10.1021/om00019a051
• 作为产物：
  描述：

  (neopentyl)gallium dichloride 在 Na/naphthalene 、 HCl 作用下， 以 四氢呋喃 为溶剂， 生成 dineopentylgalliumchloride
  参考文献：
  名称：

  Low Oxidation State Gallium Compounds Synthesis and Characterization of [Ga(CH2CMe3)]n

  摘要：

  The new organogallium(I) compound [Ga(CH2CMe3)]n has been prepared by the reduction of Ga(CH2CMes)2CI by using either sodium or lithium with naphthalene in THF. When the reagents were combined at -78-degrees-C, a yellow intermediate, a neopentylgallium(III) derivative of dihydronaphthalene C10H8[Ga(CH2CMe3)2]2.2MCl (M = Li, Na) was formed. Warming of the solution to 0-25-degrees-C resulted in decomposition of the yellow intermediate and formation of a reddish brown solution of [Ga(CH2CMe3)]n, Ga(CH2CMe3)3, C10H8, and either NaCl or LiCl. The gallium(I) product was a vitreous solid and was characterized by complete elemental analyses, hydrolyses with HCl/H2O and with DCl/D2O, oxidation with HgCl2 and with I2, cryoscopic molecular weight studies in benzene solution, and IR and NMR spectroscopic studies. All data support the conclusion that [Ga(CH2CMe3)]n exists as a mixture of species which are gallium cages. The numbers of gallium atoms in these cages might range from 6 to 12 atoms.

  DOI：

  10.1021/om00019a051

文献信息

• Synthesis and Structural Characterization of Alkylgallium−Phosphorus Compounds. X-ray Crystal Structures of (Me₃CCH₂)₂(Cl)Ga·P(SiMe₃)₃, R₂GaP(SiMe₃)₂GaR₂Cl (R = Me₃CCH₂, Me₃SiCH₂), and [(R)(X)GaP(SiMe₃)₂]₂ (R = Me₃CCH₂, X = Cl; R = Me₃CCH₂, X = Me₃CCH₂; R = Me₃SiCH₂, X = Br)
  作者：Richard L. Wells、Ryan A. Baldwin、Peter S. White、William T. Pennington、Arnold L. Rheingold、Glenn P. A. Yap

  DOI：10.1021/om9507641

  日期：1996.1.9

  Reaction of (Me3CCH2)2GaCl with (Me3Si)3P in a 1:1 mole ratio does not result in any intermolecular dehalosilylation but affords the adduct (Me3CCH2)2(Cl)Ga·P(SiMe3)3 (1) in nearly quantitative yield. Mixing (Me3CCH2)2GaCl and (Me3Si)3P in a 2:1 mole ratio yields as the only isolable product the dimeric compound [(Me3CCH2)(Cl)GaP(SiMe3)2]2 (2), which contains three different substituents on the gallium

  （Me 3 CCH 2）2 GaCl与（Me 3 Si）3 P摩尔比为1：1的反应不会导致分子间脱卤代硅烷化反应，但会提供加合物（Me 3 CCH 2）2（Cl）Ga·P（ SiMe 3）3（1）的定量收率。以2：1摩尔比混合（Me 3 CCH 2）2 GaCl和（Me 3 Si）3 P得到唯一的可分离产物二聚化合物[（Me 3 CCH 2）（Cl）GaP（SiMe 3）2] 2（2），其在镓中心上包含三个不同的取代基。在（Me 3 SiCH 2）2 GaBr和（Me 3 Si）3 P的2：1反应中也观察到这种类型的产物，其中[（Me 3 SiCH 2）（Br）GaP（SiMe 3）2 ] 2得到（3）。（Me 3 CCH 2）2 GaCl和LiP（SiMe 3）2之间的盐消除反应导致二聚体[（Me 3 CCH 2）2 GaP（SiMe 3）2 ] 2（4）的产率很高。化合物4与2摩尔当量的（Me
• Organoerdmetall-komplexe von d-block-elementen
  作者：Roland A. Fischer、Joachim Behm、Eberhardt Herdtweck、Christian Kronseder

  DOI：10.1016/0022-328x(92)85084-a

  日期：1992.10

  preparation of [η5-C5H5)(CO)Ni]− from its dimer [η5-C5H5(CO)Ni]2 using C8K as a selectively reducing agent. Subsequent treatment of tetrahydrofurane solutions of this anion with various electrophiles of type RnEX (R = Alkyl, Aryl; n = 2, 3; E = AI, Ga, In, C, Si, Ge, Sn; X = Cl, Br) give the corresponding organonickel derivatives in excellent yields. The first examples of compounds with direct NiGa and

  我们报告一个简单，快速和高效的方法，用于在原位[η的制备5 -C 5 H ^ 5）（CO）的Ni] -从其二聚体[η 5 -C 5 H ^ 5（CO）的Ni] 2用C 8 K作为选择性还原剂。随后用R n EX类型的各种亲电试剂对该阴离子的四氢呋喃溶液进行处理（R =烷基，芳基；n= 2，3; E = Al，Ga，In，C，Si，Ge，Sn; X ＝ Cl，Br）以优异的产率得到相应的有机镍衍生物。报道了具有直接NiGa和NiIn键的化合物的第一个例子。（η的单晶X射线衍射研究5 -C 5 H ^ 5（CO）NiGa[CH 2 C（CH 3）3 ] 2（OC 4 H ^ 8）揭示了一个σ，（NiGa）键距离为240.6（1）pw（R w = 3.9％）。
• Neue metallorganische Platin–Indium und Cobalt–Gallium Komplexe
  作者：Roland A. Fischer、Joachim Behm

  DOI：10.1016/0022-328x(91)80072-r

  日期：1991.8

  addition of one indium–carbon bond of InR3 (R = CH2Si(CH3)3) to the highly reactive, coordinatively unsaturated platinum fragment [Cy2P(CH2CH2)PCy2]Pt (Cy = cyclo-C6H11) gives the novel platinum–indium complex [Cy2P(CH2CH2)Pcy2]Pt(InR2)(R) (3) in high yield. A single-crystal X-ray diffraction study reveals a PT–In bond distance of 260.12(2) pm. Salt elimination between Na[Co(CO)4] and bis(neopentyl)gallium

  InR 3的一个铟-碳键（R = CH 2 Si（CH 3）3）氧化加成到高反应性，配位不饱和的铂片段[Cy 2 P（CH 2 CH 2）PCy 2 ] Pt（Cy =环-C 6 H 11）以高收率获得了新颖的铂-铟络合物[Cy 2 P（CH 2 CH 2）Pcy 2 ] Pt（InR 2）（R）（3）。单晶X射线衍射研究显示PT-In的键距为260.12（2）pm。Na [Co（CO）4之间的除盐]和双（新戊基）氯化镓构成了一种新型的，不含卤化物的，挥发性的钴-镓复合物，类型为（CO）4 Co-GaR 2（thf）（4； R = CH 2 C（CH 3）3）。
• 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.