1-pentyltetrahydro-1H-thiophen-1-ium bis((trifluoromethyl)sulfonyl)amide | 1254164-97-0

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: 1-pentyltetrahydro-1H-thiophen-1-ium bis((trifluoromethyl)sulfonyl)amide
• 英文别名: 1-pentyltetrahydrothiophenium bis(trifluoromethylsulfonyl)imide
• CAS: 1254164-97-0
• 化学式: C₂F₆NO₄S₂*C₉H₁₉S
• 分子量: 439.465
• InChiKey: ZXYKOZROOSYXRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  82.38
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-碘戊烷 以 水 、 丙酮 为溶剂， 反应 192.0h， 生成 1-pentyltetrahydro-1H-thiophen-1-ium bis((trifluoromethyl)sulfonyl)amide
  参考文献：
  名称：

  四氢噻吩基离子液体：合成和热力学表征

  摘要：

  S-烷基四氢噻吩鎓，[C n THT] +双（三氟磺酰基）亚胺，[NTf 2 ] -室温离子液体（IL）和四苯基硼酸盐，[BPh 4 ] -烷基链长度为 C 4至 C 10 的盐。通过1 H 和13 C 核磁共振、元素分析、离子色谱、卡尔费休滴定、单晶 X 射线衍射以及热重分析对 IL 和盐进行了表征并验证了其纯度。实验确定的密度和粘度随着温度的升高而降低。 [C n THT][NTf 2 ]-IL 在水中的实验溶解度（C 4至 C 10为 75 至 2.2 mg/L）通过扰动链统计缔合流体理论 (PC-SAFT) 进行建模，结果非常一致，基于本工作中测量的 [C n THT][NTf 2 ]-IL 的极低蒸气压（C 4至 C 10为 4.15 至 0.037 ⋅ 10 -7 × p sat ）。 PC-SAFT 能够通过估计亥姆霍兹剩余能量来预测和关联不同的热力学性质。

  DOI：

  10.1002/open.202000228

文献信息

• Novel hydrophobic cyclic sulfonium-based ionic liquids as potential electrolyte
  作者：Lei Guo、Xu Pan、Changneng Zhang、Meng Wang、Molang Cai、Xiaqin Fang、Songyuan Dai

  DOI：10.1016/j.molliq.2010.10.011

  日期：2011.1

  A novel series of hydrophobic room temperature ionic liquids based on six cyclic sulfonium cations with TFSI(-)were synthesized and characterized. Their physical parameter (density and viscosity), electrochemical and thermal properties (electrochemical windows, conductivity, phase transition behavior and decomposition temperature) had been measured. Most of them showed low melting point (<-60 degrees C) and low viscosity and good conductivity (52 mPa s and 4.10 mS cm(-1) at 25 degrees C, respectively). Three kinds of phase transition behavior were observed from differential scanning calorimeter curves for these room temperature ionic liquids. The decomposition temperature of these hydrophobic room temperature ionic liquids was near to 80 degrees C higher than those hydrophilic ones. The result shows that these ionic liquids are suitable for electrochemical devices such as dye-sensitized solar cells even under some rigorous condition and it is an efficient method for improving ionic liquids' properties by modifying the structure of cyclic sulfonium. (C) 2010 Elsevier B.V. All rights reserved.