copper(II) ortho-methylbenzoate | 5819-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: copper(II) ortho-methylbenzoate
• 英文别名: copper(II) ortho-toluate；copper salicylate；2-methyl-benzoic acid ; copper (II)-salt；2-Methyl-benzoesaeure; Kupfer(II)-Salz；Kupfer(II)-o-toluat
• CAS: 5819-24-9；64508-54-9
• 化学式: 2C₈H₇O₂*Cu
• 分子量: 333.831
• InChiKey: YVZNTLZDQDVPIB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-苯基哌嗪 、 copper(II) ortho-methylbenzoate 以 乙醚 为溶剂， 以80%的产率得到[di(ortho-toluato)hemi(1-phenylpiperazine)copper(II)]n
  参考文献：
  名称：

  Synthesis, Magnetic and Spectroscopic Characterization of Copper(II) Toluate Complexes with Substituted Piperazines

  摘要：

  New copper(II) toluate complexes with the saturated heterocyclic bases [(L-L) having the tendency to coordinate through both 1 and 4 nitrogen atoms] 1-methylpiperazine, 1,4-dimethylpiperazine, 2,6-dimethylpiperazine and 1- phenylpiperazine have been prepared and characterized by physico-chemical and spectroscopic methods. All of the complexes were found to be antiferromagnetic with stoichiometries of the type Cu(OOCR)(2)(L- L)(n) ( n = 1 or 0.5, R = 2-, 3- or 4-CH3C6H4) except Cu(OOCC6H4CH3-4) (2)(L- L) ( where L- L = 2,6-dimethylpiperazine), which is magnetically dilute. The spin exchange parameter, -2J, for two of the antiferromagnetic complexes has been evaluated from magnetic susceptibility measurements at different temperatures. Binuclear copper( II) acetate monohydrate-like structure for the antiferromagnetic complexes of 1: 1 stoichiometry and polymeric structure of the type Cu(OOCH)(2)( dioxan)(0.5) for the complexes of 1: 0.5 stoichiometry have been proposed. The magnetically dilute complex has been assigned a polynuclear trans-pseudo-octahedral or polymeric square pyramidal structure.

  DOI：

  10.1081/sim-200035712
• 作为产物：
  描述：

  sodium o-toluate 、 copper(II) sulfate 以 水 、 丙酮 为溶剂， 生成 copper(II) ortho-methylbenzoate
  参考文献：
  名称：

  Synthesis, Magnetic and Spectroscopic Characterization of Copper(II) Toluate Complexes with Substituted Piperazines

  摘要：

  New copper(II) toluate complexes with the saturated heterocyclic bases [(L-L) having the tendency to coordinate through both 1 and 4 nitrogen atoms] 1-methylpiperazine, 1,4-dimethylpiperazine, 2,6-dimethylpiperazine and 1- phenylpiperazine have been prepared and characterized by physico-chemical and spectroscopic methods. All of the complexes were found to be antiferromagnetic with stoichiometries of the type Cu(OOCR)(2)(L- L)(n) ( n = 1 or 0.5, R = 2-, 3- or 4-CH3C6H4) except Cu(OOCC6H4CH3-4) (2)(L- L) ( where L- L = 2,6-dimethylpiperazine), which is magnetically dilute. The spin exchange parameter, -2J, for two of the antiferromagnetic complexes has been evaluated from magnetic susceptibility measurements at different temperatures. Binuclear copper( II) acetate monohydrate-like structure for the antiferromagnetic complexes of 1: 1 stoichiometry and polymeric structure of the type Cu(OOCH)(2)( dioxan)(0.5) for the complexes of 1: 0.5 stoichiometry have been proposed. The magnetically dilute complex has been assigned a polynuclear trans-pseudo-octahedral or polymeric square pyramidal structure.

  DOI：

  10.1081/sim-200035712

文献信息

• Effects of Methyl Substituent on Solvent Extraction of Copper(II) with<i>o</i>-,<i>m</i>-, and<i>p</i>-Methylbenzoic Acids
  作者：Hiromichi Yamada、Shiho Horikawa、Yukio Fujii、Masateru Mizuta

  DOI：10.1246/bcsj.61.835

  日期：1988.3

  The extraction of copper(II) with o-, m-, and p-methylbenzoic acids in 1-octanol was carried out at 25 °C and aqueous ionic strength of 0.1 mol dm−3 (NaClO4). In contrast to the extraction with benzoic acid, in which only the monomeric copper(II) benzoate is extracted, the dimeric copper(II) species is also responsible for the extraction of copper(II) with o- and m-methylbenzoic acids in 1-octanol

  在 25 °C 和 0.1 mol dm-3 (NaClO4) 的水溶液离子强度下，用 1-辛醇中的邻-、间-和对-甲基苯甲酸提取铜 (II)。与用苯甲酸萃取相反，其中仅萃取单体苯甲酸铜 (II)，二聚体铜 (II) 物种也负责在 1 中用邻甲基苯甲酸和间甲基苯甲酸萃取铜 (II) -辛醇和单体。另一方面，对甲基苯甲酸的萃取能力比邻甲基苯甲酸和间甲基苯甲酸差，并且只有单体铜 (II) 物种负责萃取。
• 一种偶氮二价金属络合物及其在色调剂中的用途
  申请人：广西新晶科技有限公司

  公开号：CN107254191A

  公开（公告）日：2017-10-17

  本发明公开一种偶氮二价金属络合物，其结构式为以下通式I：其中M表示二价金属原子。本发明由金属赋予剂与偶氮配体经络合反应制备偶氮金属络合物，本发明的偶氮二价金属络合物代替偶氮铬应用于制备色调剂。
• Magnetic and Spectroscopic Characterization of Copper(II) Toluate Adducts with Substituted Piperidines
  作者：B. S. Manhas、A. K. Sardana、S. B. Kalia

  DOI：10.1081/sim-120020321

  日期：2003.1.6

  New copper(H) toluate complexes with saturated monoheterocyclic bases, substituted piperidines, of the type Cu(OOCR)(2)L (where R = 2-, 3-, or 4-CH3Cr6H4 and L = 1-methyl-, 1-ethyl- or 2,6-dimethylpiperidine) have been synthesized and characterized by elemental analyses, IR, electronic reflectance and EPR spectral and magnetic susceptibility measurement studies. All of these complexes show antiferromagnetic behaviour. The spin exchange parameter, -2J, for three of these complexes has been evaluated from EPR measurements at different temperatures, which corresponds to axial binuclear copper(II) complexes with S = 1.
• Kumar, N.; Kalsotra, B. L.; Sachar, Renu, Journal of the Indian Chemical Society, 1986, vol. 63, p. 332 - 333
  作者：Kumar, N.、Kalsotra, B. L.、Sachar, Renu

  DOI：——

  日期：——
• Kumar, N.; Kalsotra, B. L.; Sachar, Renu, Journal of the Indian Chemical Society, 1983, vol. 60, p. 715 - 717
  作者：Kumar, N.、Kalsotra, B. L.、Sachar, Renu

  DOI：——

  日期：——