1-phenyl-2,3,5-trimethylpyrazolium tetrafluoroborate | 87851-18-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-2,3,5-trimethylpyrazolium tetrafluoroborate
• 英文别名: 2,3,5-trimethyl-1-phenyl-1H-pyrazol-2-ium tetrafluoroborate
• CAS: 87851-18-1
• 化学式: BF₄*C₁₂H₁₅N₂
• 分子量: 274.069
• InChiKey: OJNBTSVNRASHNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  乙酰丙酮 以 乙醇 、 二氯甲烷 为溶剂， 反应 31.0h， 生成 1-phenyl-2,3,5-trimethylpyrazolium tetrafluoroborate
  参考文献：
  名称：

  Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles

  摘要：

  通过利用协同配体中给体强度与反式-[PdBr2(iPr2-bimy)L]配合物中iPr2-bimy卡宾信号的13C NMR化学位移之间的相互依赖性，已精确测定了10种吡唑衍生的配体的相对供体强度（iPr2-bimy = 1,3-二异丙基苯并咪唑啉-2-亚基；L = 吡唑衍生配体）。即使吡唑骨架上与配位氮原子相隔三个键的取代模式的微妙变化，也能可靠地使用这种方法检测到。通过使用不同反应活性的亲电试剂（溴乙烷、碘乙烷和四氟硼酸三甲氧基甲基）对吡唑进行烷基化实验，将吡唑分为逐渐增强的亲核性的三个组，这与它们确定的供体强度高度相关。

  DOI：

  10.1039/c2dt30526g

文献信息

• Phenyl/alkyl-substituted-3,5-dimethylpyrazolium ionic liquids
  作者：Melek Canbulat Özdemir、Beytiye Özgün

  DOI：10.1016/j.molliq.2014.10.014

  日期：2014.12

  The synthesis and characterization of a series of new phenyl/alkyl-substituted-3,5-dimethylpyrazolium ionic liquids ([Phpz(R)][X] R = CnH2n+1 n: 1,2,3,4,5,6,7 [X] = CH3SO3-, BF4-, PF6-) are described. Their melting points, thermal stabilities, electrochemical windows, and solubility properties in common solvents were investigated. They were found to exhibit very good electrochemical and thermal stabilities. The results indicate that these ionic liquids have a high thermal stability up to 374 degrees C and a large electrochemical window of 4.63 V. The thermophysical properties such as density, viscosity and refractive index were also measured as a function of temperature for the ionic liquids which are in liquid state at room temperature. (C) 2014 Elsevier B.V. All rights reserved.