3-(carboxymethoxy)-5-methylbenzoic acid | 1424350-38-8

• 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: 3-(carboxymethoxy)-5-methylbenzoic acid
• 英文别名: 3-(Carboxymethoxy)-5-methylbenzoic acid
• CAS: 1424350-38-8
• 化学式: C₁₀H₁₀O₅
• 分子量: 210.186
• InChiKey: MLNMNGRTLKSOST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Cu2(OH)2CO3·H2O 、 3-(carboxymethoxy)-5-methylbenzoic acid 、 水 在 4,4'-联吡啶 、 3,5-二甲苯基氧基乙酸 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以43%的产率得到{[Cu(3-(carboxymethoxy)-5-methylbenzoate)]·0.8H2O}n
  参考文献：
  名称：

  Structural diversity and magnetic properties of five copper–organic frameworks containing one-, two-, and three-types of organic ligands

  摘要：

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  DOI：

  10.1039/c2dt32515b

文献信息

• Structural diversity and magnetic properties of five copper–organic frameworks containing one-, two-, and three-types of organic ligands
  作者：Bo Shen、Peng-Fei Shi、Yin-Ling Hou、Fan-Fan Wan、Dong-Liang Gao、Bin Zhao

  DOI：10.1039/c2dt32515b

  日期：——

  Five novel compounds [Cu(CMA)]·0.8H2O}n (1), [Cu(CMA)(bpy)0.5]·0.5DMF}n (2), [Cu(CMA)(bpy)(H2O)]·0.5H2O}n (3), [Cu2(CMA)(DPA)(bpy)2(H2O)]ClO4}n (4) and [Cu3(CMA)(DPA)(bpy)4(OH)](ClO4)2·3H2O)}n (5) (H2CMA = 3-(carboxymethoxy)-5-methylbenzoic acid, HDPA = 2-(3,5-dimethylphenoxy)acetic acid, bpy = 4,4′-bipyridine) were synthesized and characterized by single crystal X-ray diffraction. Interestingly, the kinds of ligands included in these compounds are different: 1 contains single-ligand CMA2−; 2 and 3 comprise two kinds of ligands (CMA2− and bpy); 4 and 5 cover three kinds of ligands (CMA2−, DPA− and bpy). Structural analyses reveal that 1–3, and 5 are three-dimensional (3D) frameworks, while 4 is a 2D layer. Noteworthily, 1 possesses two types of channels: six-star and hexagonal ones. 3 displays a three-fold interpenetrating 3D framework. The structural diversity of the compounds may have originated from different anions, solvents and temperatures. Variable-temperature magnetic susceptibility measurements were carried out on compounds 1, 2 and 4, and the magnetic properties are dramatically different due to the structural diversities. The magnetic data of 1 shows an antiferromagnetic interaction with J = −54.84 cm−1 estimated from the Bonner–Fisher model. The magnetic data of 2 was least-square fitted to the Blenaey–Bowers equation with J = −131.01 cm−1, indicating the existence of a strong antiferromagnetic interaction between two adjacent Cu2+. The magnetic data of linear tetranuclear structure 4 was best fitted to the expression derived from the Hamiltonian H = −2(2J1S1S2 + J2S1S1*). The best fitting parameters are J1 = −17.48 cm−1 and J2 = −65.26 cm−1, which also indicate an antiferromagnetic interaction. Simultaneously, the magneto-structural relationship was discussed.

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