potassium;tris(2,2-dimethylpropyl)indiganuide | 139408-74-5

• 分子结构分类: 有机化合物
• 英文名称: potassium;tris(2,2-dimethylpropyl)indiganuide
• CAS: 139408-74-5
• 化学式: C₁₅H₃₄In*K
• 分子量: 368.353
• InChiKey: MTBBHYYZHDFEBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 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：

  potassium;tris(2,2-dimethylpropyl)indiganuide 在 silicone grease 作用下， 以 正庚烷 为溶剂， 生成
  参考文献：
  名称：

  Silicone grease as a precursor to a pseudo crown ether ligand: crystal structure of [K⁺]₃[K(Me₂SiO)₇⁺][InH(CH₂CMe₃)₃^–]₄

  摘要：

  在硅脂的作用下，庚烷中的K[InH(CH2CMe3)3]结晶形成了标题化合物，其中，一个钾阳离子被平面环状（Me2SiO）7配体包围；K+·O距离为2.86（3）至2.99（4）Å。

  DOI：

  10.1039/c39930001577
• 作为产物：
  描述：

  trineopentylindium 、 potassium hydride 以 正戊烷 为溶剂， 以92%的产率得到potassium;tris(2,2-dimethylpropyl)indiganuide
  参考文献：
  名称：

  有机氢化铟的化学。K {H [In（CH2CMe3）3] 2}的合成，表征和晶体结构

  摘要：

  Two new organoindium hydrides K{H[In(CH2CMe3)3]2} and K[HIn(CH2CMe3)3] have been prepared and fully characterized according to their physical properties, partial elemental analyses, molecular weight studies, and IR and H-1 and C-13 NMR spectral studies. The unique hydrogen atoms bonded to indium in the two compounds provide characteristic infrared bands and H-1 NMR resonances, which have been identified by comparative studies with the corresponding deuterium derivatives. The indium hydride K{H[In(CH2CMe3)3]2} crystallizes in the monoclinic space group C2/c (No. 15) with cell parameters of a = 22.243 (5) angstrom, b = 17.021 (3) angstrom, c = 21.290 (3) angstrom, beta = 110.350 (10)-degrees, V = 7557 (2) angstrom 3, and Z = 8. Final discrepancy indicies were R = 6.32% and R(w) = 4.97% for all 4947 independent data and R = 2.96% and R(w) = 3.67% for those 2924 reflections with \F(o)\ > 6-sigma(F(o)). The crystal is composed of K+ cations and (Me3CCH2)3In-H-In(CH2CMe3)3- anions, each of which lie on 2-fold axes. In-C(neopentyl) distances range from 2.199 (6) to 2.231 (6) angstrom (averaging 2.213 angstrom), while In-(mu-H) distances are 1.933 (15) and 1.950 (23) angstrom. In-H-In angles are 151 (5) and 161 (5)-degrees.

  DOI：

  10.1021/om00040a018

文献信息

• Reactions of Neopentylindium(III) Derivatives with Isopropylphosphorus Compounds
  作者：O. T. Beachley,、Sun-Hua L. Chao、Melvyn Rowen Churchill、Charles H. Lake

  DOI：10.1021/om0101902

  日期：2001.11.1

  A 1:1 mixture of In(CH2CMe3)(3) and HP(i-Pr)(2) at room temperature undergoes a very slow hydrocarbon elimination reaction to form [(Me3CCH2)(2)InP(i-Pr)(2)](2) and neopentane. The indium phosphide [(Me3CCH2)(2)InP(i-Pr)(2)](2) has also been prepared by reacting KIn(CH2CMe3)(3)H with CIP(i-Pr)(2) in pentane. When pentane solutions of these reagents were combined at -78 degreesC and then maintained at similar to 20 degreesC for 2 days, [(Me3CCH2)(2)InP(i-Pr)(2)](2), (Me3CCH2)(3)In .P(H)(i-Pr)(2), (Me3CCH2)(3)In .P-2(i-Pr)(4), (Me3CCH2)(3)In .P(CH2CMe3)(i-Pr)(2), H-2, indium metal, and KCl were observed. The formation of all products is explained by a set of experimentally verified reactions. An X-ray structural study of [(Me3CCH2)(2)InP(i-Pr)(2)](2) shows each molecule to have an unusual puckered four-membered In2P2 core.
• Reaction of KIn(CH₂CMe₃)₃H with Chlorodiphenylphosphine
  作者：O. T. Beachley、Sun-Hua L. Chao

  DOI：10.1021/om000017q

  日期：2000.7.1

  The reaction between KIn(CH2CMe3)(3)H and ClPPh2 in pentane or benzene produces significant yields of two indium-phosphorus compounds, (Me3CCH2)InPPh2 and (Me3CCH2)(3)In . P(CH2CMe3)Ph-2. This unexpected adduct incorporates a neopentyl group that was originally a substituent on the indium reagent. The other products of the reaction are CMe4, H-2, and KCl. The formation of ail products is explained by a set of experimentally verified reactions.
• Use of organoindium hydrides for the preparation of organoindium phosphides. Synthesis and molecular structure of [(Me3CCH2)2InP(t-Bu)2]2
  作者：O. T. Beachley、Sun Hua L. Chao、Melvyn Rowen Churchill、Charles H. Lake

  DOI：10.1021/om00034a035

  日期：1993.10

  The indium phosphide [(Me3CCH2)2InP(t-Bu)2]2 has been prepared from K[In(CH2CMe3)3H] and ClP(t-Bu)2 in pentane. When In(CH2CMe3)3 and HP(t-Bu)2 were present in a 1:1 mol ratio, heating to 105-115-degrees-C for 5 days was required, whereas when In(CH2CMe3)3 and HP(t-Bu)2 were in a 5:1 mol ratio in pentane solution, the desired indium product formed in 6 days at room temperature. Excess phosphine, In(CH2CMe3)3, and HP(t-Bu)2 in a 1:5 mol ratio in pentane, significantly retarded the rate of formation of [(Me3CCH2)2InP(t-Bu)2]2. Thermal decomposition of [(Me3CCH2)2InP(t-Bu)2]2 to form InP occurred at 245-degrees-C in 1 h. The compound [(Me3CCH2)2InP(t-Bu)2]2 crystallizes in the centrosymmetric orthorhombic space group Pbcn (No. 60) with a = 11.742(3) angstrom, b = 20.194(6) angstrom, c = 17.909(4) angstrom, V = 4246(2) angstrom3, and Z = 4. The structure was solved and refined to R = 6.68% and R(w) = 6.24% for all 4920 independent reflections and R = 2.76% and R(w) = 3.47% for those 2525 reflections with \F(o)\ > 6.0sigma(\F(o)\). The molecule lies on a 2-fold axis which passes through the two indium atoms and requires that the In2P2 core be strictly planar.