N-(decyloxycarbonylmethyl)-β-picolinium chloride | 106996-08-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(decyloxycarbonylmethyl)-β-picolinium chloride
• 英文别名: 1-[2-(Decyloxy)-2-oxoethyl]-3-methylpyridin-1-ium chloride；decyl 2-(3-methylpyridin-1-ium-1-yl)acetate;chloride
• CAS: 106996-08-1
• 化学式: C₁₈H₃₀NO₂*Cl
• 分子量: 327.895
• InChiKey: SOFQBRUINYWRQH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  hexafluorophosphoric acid 、 N-(decyloxycarbonylmethyl)-β-picolinium chloride 以 水 为溶剂， 以86%的产率得到N-(decyloxycarbonylmethyl)-β-picolinium hexafluorophosphate
  参考文献：
  名称：

  Synthesis and physico-chemical properties of ionic liquids—3-methyl-1-alkyloxycarbonylmethylpyridinium hexafluorophosphates

  摘要：

  Ionic liquids based on 1-alkyloxycarbonylmethyl-3-methylpyridinium and Cl- and PF6- anions have been synthesized. The conductivity of their solutions in acetonitrile and the thermal stability over 25-500 degrees C in air have been determined.

  DOI：

  10.1134/s1070363217050085
• 作为产物：
  描述：

  癸醇 在 对甲苯磺酸一水合物 作用下， 以 甲苯 为溶剂， 生成 N-(decyloxycarbonylmethyl)-β-picolinium chloride
  参考文献：
  名称：

  Synthesis and physico-chemical properties of ionic liquids—3-methyl-1-alkyloxycarbonylmethylpyridinium hexafluorophosphates

  摘要：

  Ionic liquids based on 1-alkyloxycarbonylmethyl-3-methylpyridinium and Cl- and PF6- anions have been synthesized. The conductivity of their solutions in acetonitrile and the thermal stability over 25-500 degrees C in air have been determined.

  DOI：

  10.1134/s1070363217050085

文献信息

• Synthesis and physico-chemical properties of ionic liquids—3-methyl-1-alkyloxycarbonylmethylpyridinium hexafluorophosphates
  作者：O. E. Zhuravlev、L. I. Voronchikhina

  DOI：10.1134/s1070363217050085

  日期：2017.5

  Ionic liquids based on 1-alkyloxycarbonylmethyl-3-methylpyridinium and Cl- and PF6- anions have been synthesized. The conductivity of their solutions in acetonitrile and the thermal stability over 25-500 degrees C in air have been determined.