ammonium 3,5-dimethoxybenzoate | 676519-76-9

• 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: ammonium 3,5-dimethoxybenzoate
• 英文别名: Ammonium 3,5-di-methoxybenzoate；azanium;3,5-dimethoxybenzoate
• CAS: 676519-76-9
• 化学式: C₉H₉O₄*H₄N
• 分子量: 199.207
• InChiKey: WQMUUUGZYQJTHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.44
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  59.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium 3,5-dimethoxybenzoate 、 三氯化铈 以 水 为溶剂， 生成 cerium(III) 3,5-dimethoxybenzoate
  参考文献：
  名称：

  Comparison of some properties of 2,3- and 3,5-dimethoxybenzoates of light lanthanides

  摘要：

  The physico-chemical properties and thermal stability in air of the light lanthanide 2,3- and 3,5-dimethoxybenzoates were studied and compared in order to observe if there is influence of the position of - OCH3 substituents in benzene ring on their properties, mainly on their thermal stability. The complexes of both of two series are crystalline, hydrated or anhydrous salts with colours typical of Ln(3+) ions. The carboxylate group shows the different coordination modes. It may coordinate as a bidentate, chelating or tridentate chelating-bridging ligand. The thermal stabilities of 2,3- and 3,5-dimethoxybenzoates of light lanthanides were studied in the temperature range 293 - 1173 K. The solubilities of 2,3- and 3,5-dimethoxybenzoates of these elements in water at room temperature are in the orders of 10(-3) - 10(-2) mol dm(-3) and 10(-4) mol dm(-3), respectively. The various positions of - OCH3 groups in benzene ring influences some physico-chemical properties of these compounds.

  DOI：

  10.1023/b:jtan.0000005188.19320.4c

文献信息

• Thermal, spectral and magnetic properties of 3,5-dimethoxybenzoates of Co(II), Ni(II) and Cu(II)
  作者：Wiesława Ferenc、Agnieszka Walków-Dziewulska、P. Sadowski

  DOI：10.1007/s10973-005-0904-2

  日期：2005.11

  The complexes of 3,5-dimethoxybenzoates of Co(II), Ni(II) and Cu(II) have been synthesized as hydrated polycrystalline solids and characterized by elemental analysis, IR, FIR and electronic spectroscopy, magnetic studies and X-ray diffraction measurements. They possess colours typical of the M (II) ions: Cu-blue, Ni-green, Co-pink. The carboxylate groups bind as monodentate or a symmetrical, bidentate

  Co（II），Ni（II）和Cu（II）的3,5-二甲氧基苯甲酸酯的配合物已合成为水合多晶固体，并通过元素分析，IR，FIR和电子光谱，磁研究和X射线衍射进行了表征测量。它们具有典型的 M 颜色 （II）离子：铜蓝色，镍绿色，共粉红色。羧酸根基团结合为单齿或对称的双齿螯合或桥联配体。在空气中确定热稳定性。当加热时，它们脱水形成无水盐，其分解为相应金属的氧化物。在77-300 K范围内测量了复合物的磁化率，并计算了磁矩。结果表明，Ni（II）和Co（II）的配合物为高自旋配合物，而Cu（II）的配合物为二聚体。