4-methyl-2-(5'-oxohexyl)pyridine | 168073-95-8

• 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: 4-methyl-2-(5'-oxohexyl)pyridine
• 英文别名: 2-(5-oxohexyl)-4-methylpyridine；6-(4-Methylpyridin-2-yl)hexan-2-one
• CAS: 168073-95-8
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: BRUMLZULDISZSV-UHFFFAOYSA-N

物化性质

• 沸点：
  331.1±30.0 °C(Predicted)
• 密度：
  0.981±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-甲基吡啶 、 1-甲基环戊醇 在 lead(IV) acetate 作用下， 以 溶剂黄146 为溶剂， 以57%的产率得到4-methyl-2-(5'-oxohexyl)pyridine
  参考文献：
  名称：

  Homolytic oxoalkylation of protonatedN-heteroaromatic compounds

  摘要：

  The oxoalkylation of pyridine, 2-methyl-, 4-methyl-, 2,4-dimethyl-, 2,6-dimethyl-pyridines, quinoline, 4-methylquinoline, isoquinoline, and pyrazine with oxoalkyl radicals generated from 1-methylcyclobutanol or 1-methylcyclopentanol under the action of Pb(OAc)4 or Mn(OAc)3 has been carried out. The reaction products are isomers with 2-(6)- and 4-positions of the oxoalkyl group in the N-heteroaromatic ring. The isomer ratios have been determined as a function of the structure of the N-heteroaromatic compound and the reaction conditions.

  DOI：

  10.1007/bf00698999

文献信息

• ——
  作者：G. I. Nikishin、L. L. Sokova、N. I. Kapustina

  DOI：10.1023/a:1011310511760

  日期：——
• ——
  作者：G. I. Nikishin、L. L. Sokova、N. I. Kapustina

  DOI：10.1023/a:1021388015441

  日期：——

  A new procedure was developed for the introduction of the oxoalkyl fragment into N-heteroaromatic compounds of the pyridine and quinoline series. The procedure is based on the solid-phase reactions of lead tetraacetate with aromatic N-heterocycles and tertiary cycloalkanols.