ammonium 2,4,5-trimethoxybenzoate | 208334-84-3

• 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: ammonium 2,4,5-trimethoxybenzoate
• CAS: 208334-84-3
• 化学式: C₁₀H₁₁O₅*H₄N
• 分子量: 229.233
• InChiKey: CQXZJBCUZBJXOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  104.32
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ammonium 2,4,5-trimethoxybenzoate 、 gadolinium(III) nitrate 生成 [Gd(2,4,5-trimethoxybenzoate)3]*3H2O
  参考文献：
  名称：

  Ferene, Wieslawa; Ciolek, Magdalena; Bocian, Beata, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1998, vol. 37, # 2, p. 176 - 179

  摘要：

  DOI：

文献信息

• Thermal and spectral studies of 2,4,5-trimethoxybenzoates of heavy lanthanides(III) and yttrium(III)
  作者：W. Ferenc、A. Walk�w-Dziewulska、B. Bocian

  DOI：10.1007/s10973-004-0576-3

  日期：2005.1

  decompose in two steps. At first they dehydrate to form anhydrous salts which next are decomposed to the oxides of the respective metals. The values of the enthalpy of dehydration process were determined. The solubility in water at 293 K for all heavy lanthanides(III) and yttrium(III) are in the orders of 10-3-10-4 mol dm-3. The magnetic moments of the complexes were determined in the temperature range

  Tb（III），Dy（III），Ho（III），Er（III），Tm（III），Yb（III），Lu（III）和Y（III）的2,4,5-三甲氧基苯甲酸酯为晶体，具有M（III）离子典型颜色的水合盐。羧酸根基团是二齿螯合配体。Tb（III），Dy（III）和Ho（III）的配合物为二水合物，而Er（III），Tm（III），Yb（III），Lu（III）和Y（III）的配合物为三水合物。这些化合物的特征是低对称性。在空气中加热至1273 K时，重镧系元素（III）和钇（III）的2,4,5-三甲氧基苯甲酸酯分两步分解。首先，它们脱水形成无水盐，然后将其分解为相应金属的氧化物。确定了脱水过程的焓值。所有重镧系元素（III）和钇（III）在293 K下在水中的溶解度约为10 -3-10 -4 mol dm -3。在77-300 K的温度范围内确定了配合物的磁矩。
• ——
  作者：W. Ferenc、B. Bocian

  DOI：10.1023/a:1010188905767

  日期：——

  The physico-chemical properties and thermal stability in air of light lanthanide 2,3,4-, 2,4,5- and 3,4,5-trimethoxybenzoates were compared and the influence of the position of -OCH3 substituent on their thermal stability was investigated. The complexes of these series are crystalline, hydrated or anhydrous salts with colours typical of Ln(3)+ ions. The carboxylate group is a bidentate, chelating ligand. The thermal stability of 2,3,4-, 2,4,5- and 3,4,5-trimethoxybenzoates of rare earth elements was studied in the temperature range 273-1173 K. The positions of methoxy groups in benzene ring influence the thermal properties of the complexes and their decomposition mechanism. The different thermal properties of the complexes are connected with various influence of inductive and mesomeric effects of -OCH3 substituent on the electron density in benzene ring.