2,5-dihydroxy-1,4-benzoquinone, dipotassium salt | 2881-40-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5-dihydroxy-1,4-benzoquinone, dipotassium salt
• 英文别名: potassium 2,5-dihydroxybenzoquinonate；2,5-dihydroxy-[1,4]benzoquinone; dipotassium-salt；2,5-Dihydroxy-[1,4]benzochinon; Dikalium-Salz；2,5-Dihydroxy-1,4-benzochinon-Dikaliumsalz
• CAS: 2881-40-5；20324-23-6；108724-20-5
• 化学式: C₆H₂O₄*2K
• 分子量: 216.276
• InChiKey: VUIUXBWLYHTKEM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.37
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  dichlorotetrakis(dimethylsulfoxide)ruthenium(II) 、 2,5-dihydroxy-1,4-benzoquinone, dipotassium salt 以 乙二醇 为溶剂， 以55%的产率得到[((dimethylsulfoxide)3Ru)2(μ-C6H2O4)](Cl)2
  参考文献：
  名称：

  Gupta; Poddar; Choudhury, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2000, vol. 39, # 11, p. 1191 - 1193

  摘要：

  DOI：
• 作为产物：
  描述：

  对苯二酚 在 双氧水 、 potassium hydroxide 作用下， 以 水 为溶剂， 生成 2,5-dihydroxy-1,4-benzoquinone, dipotassium salt
  参考文献：
  名称：

  WO2022/233417

  摘要：

  公开号：

文献信息

• Organic 2,5-dihydroxy-1,4-benzoquinone potassium salt with ultrahigh initial coulombic efficiency for potassium-ion batteries
  作者：Qijiu Deng、Congcong Tian、Zongbin Luo、Yangyang Zhou、Bo Gou、Haixuan Liu、Yingchun Ding、Rong Yang

  DOI：10.1039/d0cc05248e

  日期：——

  A new organic 2,5-dihydroxy-1,4-benzoquinone potassium salt (K₂C₆H₂O₄) with an ultrahigh initial coulombic efficiency of 96% is proposed as an advanced anode for potassium-ion batteries.

  提出了一种新的有机2,5-二羟基-1,4-苯醌钾盐（K2C6H2O4），具有极高的初始库仑效率96%，可作为钾离子电池的先进阳极。
• Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization
  作者：Krešimir Molčanov、Biserka Kojić-Prodić、Darko Babić、Jernej Stare

  DOI：10.1039/c2ce26119g

  日期：——

  A series of alkali (M+ = K+, NH4+, Rb+ and Cs+) salts of 2,5-dihydroxyquinone [M2+ (C6H4O4)2−] was prepared and their structures were determined by X-ray structure analysis. A less-common type of π-stacking of dianionic quinoid rings in face-to-face fashion (no offset) is observed. However, in the potassium salt of this series the stacking motif of the dianionic quinoid rings is in a herring-bone pattern

  的一系列碱金属盐（M + = K +，NH 4 +，Rb +和Cs +）2,5-二羟基醌制备[M 2 +（C 6 H 4 O 4）2- ]，并通过X射线结构分析确定其结构。观察到以面对面的方式（无偏移）的不常见的π型叠氮化醌环的π堆积。但是，在该系列的钾盐中，双阴离子醌型环的堆积基序呈鱼骨状，通常在芳香族化合物的堆积中观察到。根据通过DFT方法计算的相对能量，讨论了由各种阳离子诱导的不同类型的晶体结构。通过计算可以复制观察到的结构特征。醌型环的堆叠通过分散相互作用来辅助。
• Tetradihydrobenzoquinonate and Tetrachloranilate Zr(IV) Complexes: Single-Crystal-to-Single-Crystal Phase Transition and Open-Framework Behavior for K₄Zr(DBQ)₄
  作者：Inhar Imaz、Georges Mouchaham、Nans Roques、Stéphane Brandès、Jean-Pascal Sutter

  DOI：10.1021/ic401474f

  日期：2013.10.7

  The molecular complexes K-4[Zr(DBQ)](4) and K-4[Zr(CA)(4)], where DBQ(2-) and CA(2-) stand respectively for deprotonated dihydroxybenzoquinone and chloranilic acid, are reported. The anionic metal complexes consist of Zr(IV) surrounded by four O,O-chelating ligands. Besides the preparation and crystal structures for the two complexes, we show that in the solid state the DBQ complex forms a 3-D open framework (with 22% accessible volume) that undergoes a crystal-to-crystal phase transition to a compact structure upon guest molecule release. This process is reversible. In the presence of H2O, CO2, and other small molecules, the framework opens and accommodates guest molecules. CO2 adsorption isotherms show that the framework breathing occurs only when a slight gas pressure is applied. Crystal structures for both the hydrated and guest free phases of K-4[Zr(DBQ)(4)] have been investigated.
• Gupta, Akhilesh K.; Gupta, Anupama; Choudhury, Anuradha, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2002, vol. 41, # 10, p. 2076 - 2078
  作者：Gupta, Akhilesh K.、Gupta, Anupama、Choudhury, Anuradha

  DOI：——

  日期：——
• Ward, Michael D., Inorganic Chemistry, 1996, vol. 35, # 6, p. 1712 - 1714
  作者：Ward, Michael D.

  DOI：——

  日期：——