acetyl(thexyldimethyl)silane | 595556-95-9

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: acetyl(thexyldimethyl)silane
• 英文别名: 1-[(2,3-Dimethylbutan-2-yl)(dimethyl)silyl]ethan-1-one；1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]ethanone
• CAS: 595556-95-9
• 化学式: C₁₀H₂₂OSi
• 分子量: 186.37
• InChiKey: PDMNFPHHSPNMJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  异戊酰氯 、 acetyl(thexyldimethyl)silane 在 lithium diisopropyl amide 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 1.0h， 生成 2,3,3,4,4,9-hexamethyl-4-siladecane-5,7-dione
  参考文献：
  名称：

  Facile synthesis of a novel class of organometalloid-containing ligands, the sila-β-diketones: preparation and physical and structural characterization of the copper(II) complexes, Cu[R′C(O)CHC(O)SiR3]2

  摘要：

  The substitution of a carbon atom by silicon provides an attractive, novel approach to modification of the thermal stability and volatility of metal-organic chemical vapor deposition precursors supported by beta-diketonate ancillary ligands. The low temperature reaction of the lithium enolates of acetyltrialkylsilanes with acyl chlorides affords the sila-beta-diketones, R'C(O)CH2C(O)SiR3 (R' = Me, Et, n-Pr, i-Pr, n-Bu, i-Bu, s-Bu, t-Bu; SiR3 = SiMe3, SiEt3, SiMe2(t-Bu), SiMe2(t-hexyl), Si(i-Pr)A in good yields. Multinuclear NMR studies suggest that the sila-beta-diketones exist as the enolic tautomer with a vinylsilane isomeric structure. Homoleptic Cu(II) sila-beta-diketonate complexes were prepared in a first pass study to evaluate how precursor performance is affected by modulation of the peripheral substituents in the ligands. Thermal analyses, (TGA, DSC) show that the silylated Cu(II) precursors (SiR3 = SiMe3; R' = t-Bu or i-Bu) have greater volatility than the corresponding carbon analogues. Some of the new Cu(11) complexes exist as liquids or low melting solids, which are preferred states for industrial deposition processes. X-ray diffraction studies of selected copper complexes showed them to have typical, square planar geometry; calculations of molecular volumes suggest that packing in the solid-state is less efficient for the silicon-containing complexes than for the non-silylated analogues. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00393-0

文献信息

• Facile synthesis of a novel class of organometalloid-containing ligands, the sila-β-diketones: preparation and physical and structural characterization of the copper(II) complexes, Cu[R′C(O)CHC(O)SiR3]2
  作者：Kulbinder K Banger、Silvana C Ngo、Seiichiro Higashiya、Rolf U Claessen、Kenneth S Bousman、Poay N Lim、Paul J Toscano、John T Welch

  DOI：10.1016/s0022-328x(03)00393-0

  日期：2003.7

  The substitution of a carbon atom by silicon provides an attractive, novel approach to modification of the thermal stability and volatility of metal-organic chemical vapor deposition precursors supported by beta-diketonate ancillary ligands. The low temperature reaction of the lithium enolates of acetyltrialkylsilanes with acyl chlorides affords the sila-beta-diketones, R'C(O)CH2C(O)SiR3 (R' = Me, Et, n-Pr, i-Pr, n-Bu, i-Bu, s-Bu, t-Bu; SiR3 = SiMe3, SiEt3, SiMe2(t-Bu), SiMe2(t-hexyl), Si(i-Pr)A in good yields. Multinuclear NMR studies suggest that the sila-beta-diketones exist as the enolic tautomer with a vinylsilane isomeric structure. Homoleptic Cu(II) sila-beta-diketonate complexes were prepared in a first pass study to evaluate how precursor performance is affected by modulation of the peripheral substituents in the ligands. Thermal analyses, (TGA, DSC) show that the silylated Cu(II) precursors (SiR3 = SiMe3; R' = t-Bu or i-Bu) have greater volatility than the corresponding carbon analogues. Some of the new Cu(11) complexes exist as liquids or low melting solids, which are preferred states for industrial deposition processes. X-ray diffraction studies of selected copper complexes showed them to have typical, square planar geometry; calculations of molecular volumes suggest that packing in the solid-state is less efficient for the silicon-containing complexes than for the non-silylated analogues. (C) 2003 Elsevier Science B.V. All rights reserved.