4-<4-Chlor-styryl-pyridin-N-oxid | 93532-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-<4-Chlor-styryl-pyridin-N-oxid
• 英文别名: 4-[4-Chlor-styryl-pyridin-N-oxid；4-[2-(4-Chlorophenyl)ethenyl]-1-oxidopyridin-1-ium
• CAS: 93532-41-3
• 化学式: C₁₃H₁₀ClNO
• 分子量: 231.681
• InChiKey: YAWLXRCZTIGJGI-UHFFFAOYSA-N

物化性质

• 沸点：
  446.8±14.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-<4-Chlor-styryl-pyridin-N-oxid 、 1-二甲基氨基甲酰氧基-4-甲氧基吡啶四苯基硼酸盐 以 乙腈 为溶剂， 生成 4-甲氧基吡啶-N-氧化物 、
  参考文献：
  名称：

  摘要：

  Dimethylcarbamoyl transfer from N-acyloxypyridinium salts to pyridine N-oxides in acetonitrile occurs in one stage by the forced concerted S(N)2 mechanism. The rate and equilibrium of the reaction are fairly described by the Bronsted equation. The Marcus equation provides a much higher quality of reactivity predictions.

  DOI：

  10.1023/a:1024974323588
• 作为产物：
  描述：

  4-(二甲胺基丙基)吡啶 、 以 乙腈 为溶剂， 生成 4-<4-Chlor-styryl-pyridin-N-oxid 、 1-N,N-dimethylcarbamoyloxy-4-dimethylaminopyridinium tetraphenylborate
  参考文献：
  名称：

  摘要：

  Dimethylcarbamoyl transfer from N-acyloxypyridinium salts to pyridine N-oxides in acetonitrile occurs in one stage by the forced concerted S(N)2 mechanism. The rate and equilibrium of the reaction are fairly described by the Bronsted equation. The Marcus equation provides a much higher quality of reactivity predictions.

  DOI：

  10.1023/a:1024974323588

文献信息

• ——
  作者：G. Schroeder、V. I. Rybachenko、K. Yu. Chotii、V. V. Kovalenko、L. V. Grebenyuk、B. Lenska、K. Eitner

  DOI：10.1023/a:1024974323588

  日期：——

  Dimethylcarbamoyl transfer from N-acyloxypyridinium salts to pyridine N-oxides in acetonitrile occurs in one stage by the forced concerted S(N)2 mechanism. The rate and equilibrium of the reaction are fairly described by the Bronsted equation. The Marcus equation provides a much higher quality of reactivity predictions.