[In(μ-O-t-Bu)(O-t-Bu)2]2 | 305323-27-7

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: [In(μ-O-t-Bu)(O-t-Bu)2]2
• 英文别名: [In(μ-OCMe3)(OCMe3)]2；tri(tert-butoxi)indium；indium(3+);2-methylpropan-2-olate
• CAS: 305323-27-7
• 化学式: C₂₄H₅₄In₂O₆
• 分子量: 668.329
• InChiKey: RSHDNXLRPFFFBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-二甲氨基吡啶 、 [In(μ-O-t-Bu)(O-t-Bu)2]2 以 乙醚 为溶剂， 以81%的产率得到In(O-t-Bu)3(p-Me2Npy)2
  参考文献：
  名称：

  醇化铟配合物的一般合成和氧化铟薄膜的化学气相沉积

  摘要：

  开发了均质铟醇盐配合物的一般合成路线，并将其中一种新化合物用作透明导电氧化铟薄膜的前体。酰胺复合物 In[Nt-Bu(SiMe3)]3 与 t-BuOH、EtMe2COH、Et2MeCOH 和 i-PrMe2COH 反应生成二聚体 [In(μ-OR)(OR)2]2 (R = t-Bu, CMe2Et、CMeEt2 和 CMe2i-Pr) 的产量高。In[Nt-Bu(SiMe3)]3 与体积较小的醇 i-PrOH 和 Et2HCOH 的类似反应分别产生不溶性 [In(Oi-Pr)3]n 和四聚体 In[(μ-OCHEt2)2In( OCHEt2)2]3，它有一个六配位的中心铟原子被三个四配位的铟原子包围。化合物 [In(Oi-Pr)3]n 和 In[(μ-OCHEt2)2In(OCHEt2)2]3 也是通过 [In(μ-Ot-Bu)(Ot-Bu)2]2 与过量的相应醇。尝试通过热分解 [In(Oi-Pr)3]n

  DOI：

  10.1021/ja000845a
• 作为产物：
  描述：

  In[N-t-Bu(SiMe3)]3 、 叔丁醇 以 正己烷 为溶剂， 以82%的产率得到[In(μ-O-t-Bu)(O-t-Bu)2]2
  参考文献：
  名称：

  醇化铟配合物的一般合成和氧化铟薄膜的化学气相沉积

  摘要：

  开发了均质铟醇盐配合物的一般合成路线，并将其中一种新化合物用作透明导电氧化铟薄膜的前体。酰胺复合物 In[Nt-Bu(SiMe3)]3 与 t-BuOH、EtMe2COH、Et2MeCOH 和 i-PrMe2COH 反应生成二聚体 [In(μ-OR)(OR)2]2 (R = t-Bu, CMe2Et、CMeEt2 和 CMe2i-Pr) 的产量高。In[Nt-Bu(SiMe3)]3 与体积较小的醇 i-PrOH 和 Et2HCOH 的类似反应分别产生不溶性 [In(Oi-Pr)3]n 和四聚体 In[(μ-OCHEt2)2In( OCHEt2)2]3，它有一个六配位的中心铟原子被三个四配位的铟原子包围。化合物 [In(Oi-Pr)3]n 和 In[(μ-OCHEt2)2In(OCHEt2)2]3 也是通过 [In(μ-Ot-Bu)(Ot-Bu)2]2 与过量的相应醇。尝试通过热分解 [In(Oi-Pr)3]n

  DOI：

  10.1021/ja000845a

文献信息

• Synthese und Charakterisierung von InIII-SnII-Halogenido-Alkoxiden und von Indiumtri-tert-butoxid
  作者：Michael Veith、Sven Hill、Volker Huch

  DOI：10.1002/1521-3749(200107)627:7<1495::aid-zaac1495>3.0.co;2-u

  日期：2001.7

  Through sodium halide elimination between Indium(III) halides and sodium-tri-tert-butoxistannate(II) or sodium-tri-tert-butoxigermanate (II) the three new hetero metallic and heteroleptic alkoxo compounds THF . Cl2In(OtBu)(3)Sn (1), THF . Br2In(OtBu)(3)Sn (2), and THF . Cl2In(OtBu)(3)Ge (3), have been synthesized. The molecular structures of 1 and 2 in the solid state follow from single crystal X-ray structure determinations while structural changes in solution may be derived from temperature dependant NMR spectroscopy. The crystal structures of compounds 1 and 2 are despite different halide atoms isostructural. Both crystallize in the ortho-rhombic crystal system in space group Pbca with eight molecules per unit cell. The heavy atoms occupy the apical positions of empty trigonal bipyramids of almost point symmetry C-s(m) and are connected through oxygen atoms occupying the equatorial positions. The indium atoms in both compounds are in the centers of distorted octahedra from 4 oxygen and 2 halogen atoms whereas the tin atoms are coordinated by three oxygen atoms in a trigonal pyramidal fashion. Although the coordinative bonding of THF to indium leads to an asymmetry of the molecule the NMR spectra in solution are simple showing a more complex pattern at lower temperatures. Tri(tert-butoxi)indium [In(OtBu)(3)](2) (4), is obtained through alcoholysis of In(N(Si(CH3)(3))(2))(3) using tert-butanol in toluene and is crystallized from hexane. The X-ray structure determination of 4 seems to be the first one of a homoleptic and homometallic indiumalkoxide. Compound 4 crystallizes in the monoclinic crystal system in a dimeric form with eight molecules in the unit cell of space group C2/c. The dimeric units have C-2 symmetry and an almost planar In2O2 ring which originates from oxygen bridging of the monomers. Through this mutual Lewis acid base interaction the indium atoms get four oxygen ligands in a distorted tetrahedral environment.
• Indium Fluoroalkoxide Compounds
  作者：Liliana A. Mîinea、Seigi Suh、David M. Hoffman

  DOI：10.1021/ic990315j

  日期：1999.10.1

  Reactions of indium amide complexes with fluorinated alcohols give indium fluoroalkoxide complexes. In[N-t-Bu(SiMe3)](3) reacts with 3 equiv of (CF3)Me2COH to give the homoleptic alkoxide dimer [Inmu-OCMe2(CF3)}-OCMe2(CF3)}(2)](2), but reactions involving the more acidic alcohols (CF3)(2)MeCOH and (CF3)(2)CHOH yield products containing t-BuNH2, which is derived from the amide ligands. Thus, In[N-t-Bu(SiMe3)](3) reacts with (CF3)(2) MeCOH to give In[OCMe(CF3)(2)](3)(H2N-t-Bu) and with (CF3)(2)CHOH to yield In[OCH(CF3)(2)](3)(H2N-t-Bu)(3) and [H3N-t-Bu] [In(OCH(CF3)(2))(4)(H2N-t-Bu)]. Reactions of (CF3)(2)MeCOH and (CF3)(2)CHOH with In(tmp)(3) (tmp = the anion derived from 2,2,6,6-tetramethylpiperidine) and In(NEt2)(3) are less complicated. In(tmp)(3) reacts with 3 equiv of (CF3)(2)CHOH to give In[OCH(CF3)(2)](3)(Htmp) and with 4 equiv of (CF3)(2)CHOH or (CF3)(2)MeCOH to yield the salt compounds [H(2)tmp][InOCR(CF3)(2)}(4)] (R = H, Me). Trigofial bipyramidal [H2NEt2][In(OCH(CF3)(2))(4)(HNEt2)] and octahedral mer-In[OCMe(CF3)(2)](3)(py)(3) are isolated from reactions involving In(NEt2)(3). Crystal structure determinations of [Inmu-OCMe2(CF3)}OCMe2(CF3)(2)}(4)], In[OCMe(CF3)(2)}(4)(H2N-t-Bu] [In(OCH(CF3)(2)}(4)(H2N-t-Bu)]. EtOEt, In[OCH(CF3)(2)](3)(Htmp), [H(2)tmp] [InOCMe(CF3)(2)}(4)], In[OCMe(CF3)(2)](3)(py)(3), and [H2NEt2][InOCH(CF3)(2)}(4)(HNEt2)] were carried out.