methylpivaloylacetate | 77067-75-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methylpivaloylacetate
• 英文别名: mpaH；Methyl 3-hydroxy-4,4-dimethylpent-2-enoate
• CAS: 77067-75-5
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: LPSBBFKTAOBQNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis(trimethylsilyl)amide yttrium(III) 、 methylpivaloylacetate 以 正己烷 为溶剂， 以90%的产率得到[Y(mpa)3](m)
  参考文献：
  名称：

  Synthesis, characterisation and X-ray structures of yttrium, barium and copper(II) β-ketoesterate complexes

  摘要：

  beta-Ketoesterates derivatives M(mpa)(x) (M = Y, Ba, Cu; mpaH = methylpivaloylacetate; x = 2 or 3) were prepared by ligand exchange reactions starting from methoxides (M = Ba, Cu) or from tristrimethylsilylamide (M = Y) derivatives. Decomplexation of the oligomeric and non-volatile Ba and Y species was achieved by various Lewis bases. Adducts Y(mpa)(3)L [L = tmeda (N,N,N',N'-tetramethylethane- 1,2-diamine), bipy (2,2'-bipyridine)] and Ba(mpa)(2)L [L = diglyme, 18-crown-6 ether; pmdta = N,N,N',N',N"-pentamethylethylenetriamine and [Ba(mpa)(2)(tmedta)(2)] were obtained. All compounds were synthesised in high yield and characterised by elemental analyses, H-l NMR, FT-IR and TGA. The structures of [Ba(mpa)(2)(tmeda)(2)] and [Y(mpa)(3)(bipy)] were established by single crystal X-ray diffraction. The metals are eight-coordinated with a slightly distorted square antiprismatic surrounding. The yttrium complexes sublime as adducts. The barium complexes, by contrast, are dissociated in the vapour phase. Better solubility properties in polar and non-polar with respect to the 2,2,6,6-tetramethylheptane-3,5-dionates analogues were observed especially for the copper species. These compounds are thus potential metal-oxide precursors for liquid injection MOCVD using solvents such as hexane or diglyme. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00077-3
• 作为产物：
  描述：

  Cu(mpa)2 以 neat (no solvent, solid phase) 为溶剂， 生成 methylpivaloylacetate 、 copper(II) oxide
  参考文献：
  名称：

  Synthesis, characterisation and X-ray structures of yttrium, barium and copper(II) β-ketoesterate complexes

  摘要：

  beta-Ketoesterates derivatives M(mpa)(x) (M = Y, Ba, Cu; mpaH = methylpivaloylacetate; x = 2 or 3) were prepared by ligand exchange reactions starting from methoxides (M = Ba, Cu) or from tristrimethylsilylamide (M = Y) derivatives. Decomplexation of the oligomeric and non-volatile Ba and Y species was achieved by various Lewis bases. Adducts Y(mpa)(3)L [L = tmeda (N,N,N',N'-tetramethylethane- 1,2-diamine), bipy (2,2'-bipyridine)] and Ba(mpa)(2)L [L = diglyme, 18-crown-6 ether; pmdta = N,N,N',N',N"-pentamethylethylenetriamine and [Ba(mpa)(2)(tmedta)(2)] were obtained. All compounds were synthesised in high yield and characterised by elemental analyses, H-l NMR, FT-IR and TGA. The structures of [Ba(mpa)(2)(tmeda)(2)] and [Y(mpa)(3)(bipy)] were established by single crystal X-ray diffraction. The metals are eight-coordinated with a slightly distorted square antiprismatic surrounding. The yttrium complexes sublime as adducts. The barium complexes, by contrast, are dissociated in the vapour phase. Better solubility properties in polar and non-polar with respect to the 2,2,6,6-tetramethylheptane-3,5-dionates analogues were observed especially for the copper species. These compounds are thus potential metal-oxide precursors for liquid injection MOCVD using solvents such as hexane or diglyme. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00077-3