N,N-dimethylisopropanolammonium hydrogen sulfate | 1416473-43-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: N,N-dimethylisopropanolammonium hydrogen sulfate
• CAS: 1416473-43-2
• 化学式: C₅H₁₃NO*H₂O₄S
• 分子量: 201.244
• InChiKey: NGPSPVAZQFLIEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.72
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  98.07
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N,N-二甲基异丙醇胺 、 硫酸 生成 N,N-dimethylisopropanolammonium hydrogen sulfate
  参考文献：
  名称：

  Ionic liquid enhanced alkylation of iso-butane and 1-butene

  摘要：

  The alkylation of iso-butane with 1-butene was catalyzed by triflic acid (TFOH) coupled with a series of protic ammonium-based ionic liquids (AMILs), and the addition of the AMILs dramatically enhanced the efficiency of TFOH for the alkylation reaction. Up to 85.1% trimethylpentanes (TMP) selectivity and 98 research octane number (RON) were achieved with the optimized TFOH/AMIL catalyst ( 75 vol.% triflic acid and 25 vol.% triethylammonium hydrogen sulfate), which were much better than that with the commercial H2SO4 catalyst (65% TMP selectivity, 97 RON) and pure triflic acid. The addition of AMILs increased the I/O ratio dissolved in the catalyst system and adjusted the acidity of the TFOH/AMILs catalyst system, which were highly beneficial to the alkylation reaction and resulted in high TMP selectivity and high RON. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cattod.2012.06.008