(2-oxopropyl)pyridine-4-carboxylate | 1141011-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (2-oxopropyl)pyridine-4-carboxylate
• 英文别名: 2-oxopropyl isonicotinate；4-pyCOOAce；Acetone isonicotinate；2-oxopropyl pyridine-4-carboxylate
• CAS: 1141011-54-2
• 化学式: C₉H₉NO₃
• mdl: MFCD24387991
• 分子量: 179.175
• InChiKey: GKKLGKBNGLTGBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-oxopropyl)pyridine-4-carboxylate 、 [((t-Bu)4Pc)Ru(PhCN)2] 以 二氯甲烷 为溶剂， 以59%的产率得到[((t-Bu)4Pc)Ru((2-oxopropyl)pyridine-4-carboxylate)2]
  参考文献：
  名称：

  Ruthenium Phthalocyanine-Bipyridyl Dyads as Sensitizers for Dye-Sensitized Solar Cells: Dye Coverage versus Molecular Efficiency

  摘要：

  The application of ruthenium phthalocyanine complexes as sensitizing dyes in dye-sensitized solar cells (DSCs) is explored. Four monomeric complexes are reported which vary in peripheral substitution and axial ligand anchoring groups. Sensitizing dyes containing two ruthenium centers are also presented. These dyads, which contain ruthenium phthalocyanine and bipyridyl chromophores, were prepared using a protection/deprotection strategy that allows for convenient purification. DSCs fabricated using the phthalocyanine complexes and dyads were less efficient than those incorporating a standard DSC dye. However, on the basis of the number of molecules bound to the TiO2 electrode surfaces, several of the new complexes were more efficient at pholocurrent generation. The results highlight the importance of molecular size, and thus the dye coverage of the electrode surface in the design of new sensitizing dyes.

  DOI：

  10.1021/ic802087n
• 作为产物：
  描述：

  异烟酸 、 丙酮 在 potassium carbonate 、 1,2-二溴乙烷 、 potassium iodide 作用下， 反应 10.0h， 以65%的产率得到(2-oxopropyl)pyridine-4-carboxylate
  参考文献：
  名称：

  1,2-二溴乙烷和KI介导的酮与羧酸的α-酰氧基化

  摘要：

  摘要据报道，在不使用过渡金属和强氧化剂的情况下，酮的1,2-二溴乙烷和KI介导的α-酰氧基化反应具有中等至良好的收率。各种酸均具有良好的耐受性，并具有广泛的官能团相容性。根据控制实验结果，提出了1,2-二溴乙烷和KI催化的反应机理。

  DOI：

  10.1016/j.cclet.2019.08.052