Cyclohex-2-en-5-yne-1,4-dione | 22818-13-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cyclohex-2-en-5-yne-1,4-dione
• CAS: 22818-13-9
• 化学式: C₆H₂O₂
• 分子量: 106.081
• InChiKey: YAJJMOFZSMSVJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914299000

文献信息

• High solubility thioether quinones
  申请人：Wisconsin Alumni Research Foundation

  公开号：US11021441B2

  公开（公告）日：2021-06-01

  Substituted hydroquinones and quinones and methods of synthesizing such compounds are disclosed herein. The substituted hydroquinones have the formula: while the substituted quinones have the corresponding oxidized structure (1,4-benzoquinones). One, two, three, or all four of R1, R2, R3 and R4 comprise a thioether moiety and a sulfonate moiety, and wherein each R1, R2, R3 and R4 that does not comprise a thioether and a sulfonate moiety sulfonate moiety is independently a hydrogen, an alkyl or an electron withdrawing group. The substituted hydroquinones and quinones are soluble in water, stable in aqueous acid solutions, and have a high reduction potential in the oxidized form. Accordingly, they can be used as redox mediators in emerging technologies, such as in mediated fuel cells or organic-mediator flow batteries.

  本文公开了取代的氢醌和醌类化合物以及合成此类化合物的方法。取代的对苯二酚具有以下式子 而取代的醌类具有相应的氧化结构（1,4-苯醌）。R1、R2、R3 和 R4 中的一、二、三或全部四个包含硫醚分子和磺酸分子，其中每个不包含硫醚分子和磺酸分子的 R1、R2、R3 和 R4 独立地是氢、烷基或取电子基团。 取代的对苯二酚和醌类可溶于水，在酸性水溶液中稳定，在氧化形式下具有较高的还原电位。因此，它们可用作新兴技术中的氧化还原介质，如介导燃料电池或有机介质液流电池。
• High Solubility Thioether Quinones
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20200223794A1

  公开（公告）日：2020-07-16

  Substituted hydroquinones and quinones and methods of synthesizing such compounds are disclosed herein. The substituted hydroquinones have the formula: while the substituted quinones have the corresponding oxidized structure (1,4-benzoquinones). One, two, three, or all four of R 1 , R 2 , R 3 and R 4 comprise a thioether moiety and a sulfonate moiety, and wherein each R 1 , R 2 , R 3 and R 4 that does not comprise a thioether and a sulfonate moiety sulfonate moiety is independently a hydrogen, an alkyl or an electron withdrawing group. The substituted hydroquinones and quinones are soluble in water, stable in aqueous acid solutions, and have a high reduction potential in the oxidized form. Accordingly, they can be used as redox mediators in emerging technologies, such as in mediated fuel cells or organic-mediator flow batteries.