dimethyl(cyclopentadienyl)indium(III) | 55423-96-6

• 分子结构分类: 有机化合物
• 英文名称: dimethyl(cyclopentadienyl)indium(III)
• 英文别名: [Me2In(C5H5)]n；Cyclopenta-2,4-dien-1-yl(dimethyl)indigane
• CAS: 55423-96-6
• 化学式: C₇H₁₁In
• 分子量: 209.984
• InChiKey: ZQJKMXXMLNOBGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  dimethyl(cyclopentadienyl)indium(III) 、 二苯基膦 以 苯 为溶剂， 以94.3%的产率得到
  参考文献：
  名称：

  Cyclopentadiene Elimination Reactions for the Preparation of Organoindium(III) Derivatives. Crystal and Molecular Structures of Me₂In(acac), (Me₃CCH₂)₂In(acac), (Me)(Me₃CCH₂)In(acac), and [Me₂InNH(t-Bu)]₂

  摘要：

  The compounds R2InO(t-Bu), R2In(acac), R2InSSiPh3, and R2InPPh2 (R = Me, CH2CMe3) and Me2InNH(t-Bu) have been prepared in nearly quantitative yields by the cyclopentadiene elimination reaction between R2In(C5H5) and the appropriate alcohol, thiol, phosphine or amine. All reactions except those of H2N(t-Bu) occur readily at room temperature. Even though solutions of R2In(C5H5) exist as equilibrium mixtures of R2In(C5H5), RIn(C5H5)(2), In(C5H5)(3), and InR3, neither methane nor neopentane was observed as a product from the above reaction mixtures. A ligand redistribution reaction between Me2In(C5H5) and (Me3CCH2)(2)In(C5H5) was used to prepare (Me)(Me)(Me3CCH2)In(C5H5) that, in turn, was reacted with H(acac) to form (Me)(Me3CCH2)In(acac), an indium compound with three different substituents. The compounds Me2In(acac), (Me3CCH2)(2)In(acac), and (Me)(Me3CCH2)In(acac) exist as centrosymmetric dimers in the solid state, but in benzene solution Me2In(acac) is a monomer-dimer equilibrium mixture, whereas (Me3CCH2)(2)In(acac) is a monomer. The thiolate Me2InSSiPh3 is an equilibrium mixture of dimers and trimers in benzene solution, but (Me3CCH2)(2)InSSiPh3 is a dimer. The phosphide Me2InPPh2 is an equilibrium mixture of monomers and dimers when dissolved in benzene. The tert-butylamide Me2InNH(t-Bu), when dissolved in benzene, is a mixture of monomers and dimers with both cis and trans configurations, but only a dimer with the trans configuration exists in the solid state.

  DOI：

  10.1021/om0304154
• 作为产物：
  描述：

  三甲基铟 、 Tris(cyclopentadienyl)indium(III) 以 四氢呋喃 为溶剂， 以92.2%的产率得到dimethyl(cyclopentadienyl)indium(III)
  参考文献：
  名称：

  In（C 5 H 5）3和一些多杀菌的有机铟（III）衍生物的化学。In（C 5 H 5）3，（C 5 H 5）3 In·PPh 3和（Me 3 CCH 2）2 In（C 5 H 5）的晶体和分子结构

  摘要：

  在没有外部加热的情况下，由InCl 3和Li（C 5 H 5）在THF溶液中高产率地制备了纯In（C 5 H 5）3。整齐在（C 5 H ^ 5）3容易分解，在150℃，以形成在（C 5 H ^ 5）（S）和环戊二烯作为主要产品，而苯的悬浮液在回流条件下分解。In（C 5 H 5）3与PPh 3形成可分离的1：1加合物，但NMe 3，THF和Et 2O不形成稳定的加合物。与InR 3（R = Me和CH 2 CMe 3）在THF溶液中进行配体再分布反应，得到R 2 In（C 5 H 5）和RIn（C 5 H 5）2。这些杂化的有机铟（III）化合物已分离为分析纯的结晶固体，但在THF溶液中，它们形成InR 3，R 2 In（C 5 H 5），RIn（C 5 H 5）2，和In（C 5 H 5）3， 作为适当的。用单晶表征[In（C 5 H 5）3 ] n，（C 5 H 5）3 In·PPh

  DOI：

  10.1021/om0202322

文献信息

• Synthesis, Properties, and X-ray Structural Study of Me₂In(C₅H₅)
  作者：O. T. Beachley,、Eric S. Robirds、David A. Atwood、Pingrong Wei

  DOI：10.1021/om990214t

  日期：1999.6.1

  The compound Me2In(C5H5) has been prepared by a metathetical reaction between Me2InCl and Li(C5H5) in THF solution and by a methane elimination reaction between InMe3 and C5H6 at 145−160 °C in a sealed tube and fully characterized. An X-ray structural study identified an infinite linear polymer with cyclopentadienide units bridging InMe2 moieties through the 1 and 3 positions of the ring. Bridging

  化合物Me 2 In（C 5 H 5）是通过Me 2 InCl与Li（C 5 H 5）在THF溶液中的易位反应以及InMe 3与C 5 H 6在145-处的甲烷消除反应制备的密封管中的温度为160°C，具有完整的特性。X射线结构研究确定了带有环戊二烯单元桥接InMe 2的无限线性聚合物通过环的1和3位的部分。桥接足够牢固，可以防止在195-200°C的温度下热分解之前熔化，并使该化合物不溶于所有溶剂，只有良好的路易斯碱（如THF）除外。根据其1 H NMR光谱，该化合物作为Me 2 In（C 5 H 5）·THF，MeIn（C 5 H 5）2 ·THF和InMe 3 ·THF的平衡混合物存在于THF溶液中。