(新戊基)二氯化铟 | 120666-41-3

• 分子结构分类: 有机化合物 - 有机金属化合物
• 中文名称: (新戊基)二氯化铟
• 英文名称: (neopentyl)indium dichloride
• 英文别名: dichloroneopentylindium(III)；dichloro(2,2-dimethylpropyl)indigane
• CAS: 120666-41-3
• 化学式: C₅H₁₁Cl₂In
• 分子量: 256.868
• InChiKey: OYDUKUICLAUEOT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  8.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  trineopentylindium 、 (新戊基)二氯化铟 以 苯 为溶剂， 生成 Chlorobis(2,2-dimethylpropyl)indigane
  参考文献：
  名称：

  含有新戊基取代基In（CH2CMe3）3，In（CH2CMe3）2Cl，In（CH2CMe3）Cl2和In（CH2CMe3）2CH3的铟（III）化合物。无机聚合物二氯新戊基铟（III）的晶体和分子结构

  摘要：

  DOI：

  10.1021/om00110a014
• 作为产物：
  描述：

  trineopentylindium 、 氯化铟 以 乙醚 为溶剂， 以77.6%的产率得到(新戊基)二氯化铟
  参考文献：
  名称：

  含有新戊基取代基In（CH2CMe3）3，In（CH2CMe3）2Cl，In（CH2CMe3）Cl2和In（CH2CMe3）2CH3的铟（III）化合物。无机聚合物二氯新戊基铟（III）的晶体和分子结构

  摘要：

  DOI：

  10.1021/om00110a014

文献信息

• Gallium and indium compounds containing three different substituents. Crystal and molecular structure of [(Me3CCH2)ClGaPPh2]3
  作者：O.T. Beachley、John D. Maloney、Robin D. Rogers

  DOI：10.1016/0022-328x(93)80108-n

  日期：1993.5

  and (Me3CCH2)ClInPPh2, have been prepared and characterized. All compounds were characterized by partial elemental analysis, cryoscopic molecular weight studies in benzene solution, and NMR and IR spectroscopic data. All three compounds exist as trimeric molecules in solution. NMR spectral data were consistent with the presence of multiple isomers of the trimers. The compound [(MC3CCH2)ClGaPPh2]3 crystallizes

  制备并表征了三种新的较重的13族元素化合物，它们包含三个不同的取代基（Me 3 CCH 2）ClGaPPh 2，（Me 3 CCH 2）BrGaPPh 2和（Me 3 CCH 2）ClInPPh 2。所有化合物均通过部分元素分析，在苯溶液中的低温分子量研究以及NMR和IR光谱数据进行了表征。所有这三种化合物都以三聚体分子的形式存在于溶液中。NMR光谱数据与三聚体的多种异构体的存在一致。化合物[（MC 3 CCH 2）ClGaPPh 2 ] 3结晶的偏心空间群在光合速率2 1一个带有一个= 17.741（9）埃，b = 13.942（6）和C ^ = 21.574（8）。在Enraf-Nonius CAD-4衍射仪上收集衍射数据，并针对[ F o >s-5σ（F o）]的2971次反射将结构精炼为R = 4.6％和R w = 6.0％。GaP六元环具有典型的椅子构型，且新戊基占据E，A，A位。感兴趣的距离包括GaCl=
• Indium compounds that contain two different organic substituents. Crystal structure of [In(CH2CMe3)(CH2SiMe3)Cl]2. An interesting case of partial ligand disorder in the solid state
  作者：O. T. Beachley、John D. Maloney、Melvyn Rowen Churchill、Charles H. Lake

  DOI：10.1021/om00056a029

  日期：1991.10

  Three new indium compounds containing two different organic substituents, In(CH2CMe3)(CH2SiMe3)Cl, In(CH2CMe3)(C6H5)Cl, and (Me3CCH2)(Me3SiCH2)InPEt2, have been prepared, purified, and characterized. All compounds were characterized by partial elemental analysis (C, H, and P as appropriate), cryoscopic molecular weight studies in benzene solution, and NMR and IR spectroscopic studies. All compounds exist as dimeric molecules in solution. NMR spectral data were consistent with the presence of mixtures of cis and trans isomers in solution. [In(CH2CMe3)(CH2SiMe3)Cl]2 crystallizes in the centrosymmetric triclinic space group P1BAR (C(i)1, No. 2) with a = 6.1000 (10) angstrom, b = 10.337 (3) angstrom, c = 12.190 (3) angstrom, alpha = 77.28 (2)-degrees, beta = 84.41 (2)-degrees, gamma = 84.50 (2)-degrees, V = 744.0 (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 solved and refined to R = 5.39% and R(w) = 7.65% for those 1752 unique data with \F(o)\ > 4-sigma(\F(o)\) (R = 8.30% for all 2629 data). Distances within the centrosymmetric dimeric molecule in the trans conformation include In-CH2CMe3 = 2.140 (13) angstrom, In-CH2SiMe3 = 2.125 (12) angstrom, and In-Cl (bridging) = 2.572 (3) and 2.659 (3) angstrom. There is some slight disorder of CH2CMe3 and CH2SiMe3 ligands (approximately 73%:27%), and there are weak intermolecular In...Cl interactions at 3.528 (3) angstrom along the a-direction. Attempts to prepare the related organogallium compounds, Ga(Me)(CH2CMe3)Cl and Ga(CH2CMe3)(CH2CMe2Ph)Cl, were unsuccessful. Ligand redistribution reactions led to the formation and subsequent isolation of mixtures of the appropriate symmetrized products.