4,6-dioxo-2-hexenoic acid | 121259-83-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 4,6-dioxo-2-hexenoic acid
• 英文别名: 4,6-Dioxo-2-hexenoic acid；4,6-dioxohex-2-enoic acid
• CAS: 121259-83-4
• 化学式: C₆H₆O₄
• mdl: MFCD19230773
• 分子量: 142.111
• InChiKey: ABVCOKLCDIBEPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯酚 在 臭氧 作用下， 以 水 为溶剂， 生成 2,2'-二羟基联苯 、 顺,顺-已二烯二酸 、 邻苯二酚 、 4,6-dioxo-2-hexenoic acid 、 对苯二酚 、 对苯醌
  参考文献：
  名称：

  Mechanism of the reaction of ozone with phenols

  摘要：

  An investigation has been carried out into the composition of the products of the O3 reaction with PhOH in different solvents and into the kinetics of their build-up. A scheme is proposed for the reaction in which the first stage, which limits the rate of the entire process, is formation of a complex of O3 with the PhOH hydroxy group. Formation of muconic acid does not require the participation of H2O.

  DOI：

  10.1007/bf00965413

文献信息

• Mechanism of the reaction of ozone with phenols
  作者：M. L. Konstantinova、S. D. Razumovskii、G. E. Zaikov

  DOI：10.1007/bf00965413

  日期：1991.2

  An investigation has been carried out into the composition of the products of the O3 reaction with PhOH in different solvents and into the kinetics of their build-up. A scheme is proposed for the reaction in which the first stage, which limits the rate of the entire process, is formation of a complex of O3 with the PhOH hydroxy group. Formation of muconic acid does not require the participation of H2O.