Ti(2-methyl-2,4-pentanediolate)((CH3)3CCOCHCOOCH3)2 | 349582-19-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ti(2-methyl-2,4-pentanediolate)((CH3)3CCOCHCOOCH3)2
• CAS: 349582-19-0
• 化学式: C₂₂H₃₈O₈Ti
• 分子量: 478.419
• InChiKey: JGSOZLWCNXDGAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Ti(2-methyl-2,4-pentanediolate)((CH3)3CCOCHCOOCH3)2 、 氧气 以 甲苯 为溶剂， 生成 dioxide titanium
  参考文献：
  名称：

  Novel Titanium Compounds for Metal−Organic Chemical Vapor Deposition of Titanium Dioxide Films with an Ultrahigh Deposition Rate

  摘要：

  A new titanium diolate compound Ti(mpd)(mdop)(2) (1) containing a beta-ketoester and a dimeric derivative [Ti(mpd)(mdop)(mu-OMe)](2) [2; mpd = 2-methyl-2,4-pentanediolate, mdop = (CH3)(3)CC(O)C-HCOOCH3] have been synthesized and characterized by FT-IR, H-1 NMR, C-13 NMR, mass spectroscopy, and elemental analysis. Complex 2 was further characterized by X-ray structural analysis. Both 1 and 2 are fairly stable in air and in solvents such as tetrahydrofuran and toluene. They are also thermally stable and do not leave any residue during flash evaporation at around 280degreesC. The new titanium complexes were used as precursors for the deposition of TiO2 thin films by liquid-source metal-organic chemical vapor deposition. Compared with commercial Ti precursors, such as Ti(mpd)(tmhd)(2) (tmhd = 2,2,6,6-tetramethylheptanedionate) and Ti(OPr')(2)(tmhd)(2), the new titanium complexes demonstrated a much higher deposition rate of TiO2 film growth (3-6 times) at 400-475degreesC. The deposited TiO2 film from complex 2 was found to be in a crystalline anatase phase with a smooth surface morphology and low carbon content. Crystal data for 2: 233(2) K, a = 12.570(4) Angstrom, b = 13.817(4) Angstrom, c = 11.157(3) Angstrom, beta = 101.059-(5)degrees, monoclinic, space group P2(1)/c, Z = 2.

  DOI：

  10.1021/ic0256967
• 作为产物：
  描述：

  titanium(IV) isopropylate 、 2-甲基-2,4-戊二醇 、 新戊酰基乙酸甲酯 以 正己烷 为溶剂， 以84.7%的产率得到Ti(2-methyl-2,4-pentanediolate)((CH3)3CCOCHCOOCH3)2
  参考文献：
  名称：

  Novel Titanium Compounds for Metal−Organic Chemical Vapor Deposition of Titanium Dioxide Films with an Ultrahigh Deposition Rate

  摘要：

  A new titanium diolate compound Ti(mpd)(mdop)(2) (1) containing a beta-ketoester and a dimeric derivative [Ti(mpd)(mdop)(mu-OMe)](2) [2; mpd = 2-methyl-2,4-pentanediolate, mdop = (CH3)(3)CC(O)C-HCOOCH3] have been synthesized and characterized by FT-IR, H-1 NMR, C-13 NMR, mass spectroscopy, and elemental analysis. Complex 2 was further characterized by X-ray structural analysis. Both 1 and 2 are fairly stable in air and in solvents such as tetrahydrofuran and toluene. They are also thermally stable and do not leave any residue during flash evaporation at around 280degreesC. The new titanium complexes were used as precursors for the deposition of TiO2 thin films by liquid-source metal-organic chemical vapor deposition. Compared with commercial Ti precursors, such as Ti(mpd)(tmhd)(2) (tmhd = 2,2,6,6-tetramethylheptanedionate) and Ti(OPr')(2)(tmhd)(2), the new titanium complexes demonstrated a much higher deposition rate of TiO2 film growth (3-6 times) at 400-475degreesC. The deposited TiO2 film from complex 2 was found to be in a crystalline anatase phase with a smooth surface morphology and low carbon content. Crystal data for 2: 233(2) K, a = 12.570(4) Angstrom, b = 13.817(4) Angstrom, c = 11.157(3) Angstrom, beta = 101.059-(5)degrees, monoclinic, space group P2(1)/c, Z = 2.

  DOI：

  10.1021/ic0256967