1,1'-dicarboxylic cobalticinium chloride monohydrate | 325744-49-8

• 英文名称: 1,1'-dicarboxylic cobalticinium chloride monohydrate
• 英文别名: [(η(5)-C5H4COOH)2Co]Cl*H2O
• CAS: 325744-49-8
• 化学式: C₁₂H₁₀CoO₄*Cl*H₂O
• 分子量: 330.67
• InChiKey: TWTDHAGCUCDJDX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  1,1'-dicarboxylic cobalticinium chloride monohydrate 以 neat (no solvent) 为溶剂， 生成 Co(III)(η5-C5H4COOH)(η5-C5H4COO)
  参考文献：
  名称：

  有机金属酸 [(η5-C5H4COOH)2CoIII]+ 与 HBr 和 HI 的反应。[(η5-C5H4COOH)2CoIII]Br和[(η5-C5H4COOH)2CoIII]I的制备与表征及阳离子间氢桥

  摘要：

  The water soluble dicarboxylic cationic acid [(eta(5) -C5H4COOH)(2)Co-III](+) (1) as its Cl- salt has been treated thermally to produce the neutral zwitterion [(eta(5)-C5H4COOH)(eta(5)-C5H4COO)Co-III] (2). 2 reacts with HBr in water solution to yield the bromide salt of the dicarboxylic acid [(eta(5)-C5H4-COOH)(2)Co-III]Br, 1Br. Preparation of the iodide [(eta(5)-C5H4-COOH)(2)Co-III]I, II, has been achieved by direct oxidation of [(eta(5)-C5H4Me)(2)Co-III]OH with KMnO4 immediately followed by reaction with HI. The crystal structures of 1Br and 1I have been determined by single crystal X-ray diffraction. The hydrogen bonding interactions between the acid cations and between the acid cation and the halide ions, have been investigated. (C) 2003 Elsevier Science B.V. All rights reserved..

  DOI：

  10.1016/s0022-2860(02)00508-2
• 作为产物：
  描述：

  盐酸 、 [Co(III)(η(5)-C5H4COOH)(η(5)-C5H4COO)][Co(III)(η(5)-C5H4COOH)2](+)[PF6](-) 、 水 以 盐酸 为溶剂， 生成 1,1'-dicarboxylic cobalticinium chloride monohydrate
  参考文献：
  名称：

  有机金属酸 [(η5-C5H4COOH)2CoIII]+ 与 HBr 和 HI 的反应。[(η5-C5H4COOH)2CoIII]Br和[(η5-C5H4COOH)2CoIII]I的制备与表征及阳离子间氢桥

  摘要：

  The water soluble dicarboxylic cationic acid [(eta(5) -C5H4COOH)(2)Co-III](+) (1) as its Cl- salt has been treated thermally to produce the neutral zwitterion [(eta(5)-C5H4COOH)(eta(5)-C5H4COO)Co-III] (2). 2 reacts with HBr in water solution to yield the bromide salt of the dicarboxylic acid [(eta(5)-C5H4-COOH)(2)Co-III]Br, 1Br. Preparation of the iodide [(eta(5)-C5H4-COOH)(2)Co-III]I, II, has been achieved by direct oxidation of [(eta(5)-C5H4Me)(2)Co-III]OH with KMnO4 immediately followed by reaction with HI. The crystal structures of 1Br and 1I have been determined by single crystal X-ray diffraction. The hydrogen bonding interactions between the acid cations and between the acid cation and the halide ions, have been investigated. (C) 2003 Elsevier Science B.V. All rights reserved..

  DOI：

  10.1016/s0022-2860(02)00508-2

文献信息

• ——
  作者：Dario Braga、Gianna Cojazzi、Dario Emiliani、Lucia Maini、Fabrizia Grepioni

  DOI：10.1039/b106984e

  日期：2001.10.23

  Exposure of the solid zwitterion [Co-III (eta (5)-C5H4CO2H)(eta (5)- C5H4CO2)] to hydrated vapours of volatile acids (HCl, CF3CO2H, HBF4) or bases (NH3, NMe3, NH2Me) quantitatively produces the corresponding salts; the heterogeneous reactions are fully reversible, as the acid or base molecules can be removed by thermal treatment, regenerating the starting material.