(Z)-4,5,6-trihydroxy-2-hexenoic acid | 251905-11-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: (Z)-4,5,6-trihydroxy-2-hexenoic acid
• 英文别名: (Z)-4,5,6-trihydroxyhex-2-enoic acid
• CAS: 251905-11-0
• 化学式: C₆H₁₀O₅
• 分子量: 162.142
• InChiKey: JCOCWZYTGFRYRY-UPHRSURJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (Z)-4,5,6-trihydroxy-2-hexenoic acid 反应 0.5h， 生成 5-(1,2-dihydroxyethyl)-5H-furan-2-one
  参考文献：
  名称：

  Photocatalytic Degradation of 4-Chlorophenol. 1. The Hydroquinone Pathway

  摘要：

  Complete mineralization of 4-chlorophenol in water can be achieved by photocatalytic degradation of oxygenated solutions containing suspended TiO2. The chemical pathways of this degradation are complex, and in this paper, that which begins with hydroquinone is examined. Hydroxylation to form 1,2,4-benzenetriol is the first step, though a very small amount of cleavage of the C1-C2 bond is observed. The first major group of acyclic compounds derives from oxidative cleavage of either the C1-C2 or C3-C4 bond of 1,2,4-benzenetriol. It is argued that this results from single electron oxidation and capture by superoxide. Many smaller compounds have also been identified, and routes to various ones of them are proposed. Nearly all of the compounds are verified by use of authentic samples.

  DOI：

  10.1021/jo990820y
• 作为产物：
  描述：

  5'-trimethylsilylfuran-2'-yloxoacetaldehyde 在 sodium tetrahydroborate 、 Eosin Y 、 氧气 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 (Z)-4,5,6-trihydroxy-2-hexenoic acid
  参考文献：
  名称：

  Photocatalytic Degradation of 4-Chlorophenol. 1. The Hydroquinone Pathway

  摘要：

  Complete mineralization of 4-chlorophenol in water can be achieved by photocatalytic degradation of oxygenated solutions containing suspended TiO2. The chemical pathways of this degradation are complex, and in this paper, that which begins with hydroquinone is examined. Hydroxylation to form 1,2,4-benzenetriol is the first step, though a very small amount of cleavage of the C1-C2 bond is observed. The first major group of acyclic compounds derives from oxidative cleavage of either the C1-C2 or C3-C4 bond of 1,2,4-benzenetriol. It is argued that this results from single electron oxidation and capture by superoxide. Many smaller compounds have also been identified, and routes to various ones of them are proposed. Nearly all of the compounds are verified by use of authentic samples.

  DOI：

  10.1021/jo990820y

文献信息

• Photocatalytic Degradation of 4-Chlorophenol. 1. The Hydroquinone Pathway
  作者：Xiaojing Li、Jerry W. Cubbage、Troy A. Tetzlaff、William S. Jenks

  DOI：10.1021/jo990820y

  日期：1999.11.1

  Complete mineralization of 4-chlorophenol in water can be achieved by photocatalytic degradation of oxygenated solutions containing suspended TiO2. The chemical pathways of this degradation are complex, and in this paper, that which begins with hydroquinone is examined. Hydroxylation to form 1,2,4-benzenetriol is the first step, though a very small amount of cleavage of the C1-C2 bond is observed. The first major group of acyclic compounds derives from oxidative cleavage of either the C1-C2 or C3-C4 bond of 1,2,4-benzenetriol. It is argued that this results from single electron oxidation and capture by superoxide. Many smaller compounds have also been identified, and routes to various ones of them are proposed. Nearly all of the compounds are verified by use of authentic samples.