4-methyl-1-(9H-xanthen-9-yl)pyridin-1-ium | 115996-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-methyl-1-(9H-xanthen-9-yl)pyridin-1-ium
• CAS: 115996-43-5
• 化学式: C₁₉H₁₆NO
• 分子量: 274.342
• InChiKey: KNPFZDHTCDYBTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-甲基吡啶 、 9-xanthylium 以 环丁砜 为溶剂， 生成 4-methyl-1-(9H-xanthen-9-yl)pyridin-1-ium
  参考文献：
  名称：

  Heats of reaction of resonance-stabilized carbenium ions with nitrogen bases

  摘要：

  Heats of reaction (DELTA-H(rxn) are reported for five resonance-stabilized carbenium ions with ten aliphatic amines and seven pyridines in sulfolane at 25-degrees-C to produce substituted ammonium ions. Heats of reaction (DELTA-H(rxn) for these neutral bases fall in the same range as the corresponding heats of reaction of the carbenium ions with a variety of resonance-stabilized anions (carbanions, and oxyanions) whose pK(a)S are comparable to those of the amines and pyridines. Although the DELTA-H(rxn)S do not correlate with the aqueous pK(BH)+S of the amines, good correlations are obtained using the pK(R)+S of the carbenium ions and with the gas-phase heats of reaction of the amines with trimethylboron. Also, the DELTA-H(rxn)S of pyridines with the carbenium ions correlate fairly well with the pK(R)+S of the carbenium ions and are surprisingly insensitive to steric hindrance.

  DOI：

  10.1021/jo00008a031