butyloctamethylferrocenium bis(trifluoromethanesulfonyl)amide | 1209012-06-5

• 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: butyloctamethylferrocenium bis(trifluoromethanesulfonyl)amide
• 英文别名: butyloctamethylferrocenium bis(trifluoromethylsulfonyl)amide；(n-butyloctamethylferrocenium)(Tf2N)；[(Me4C5H)Fe(Me4C5Bu)][TFSA]；bis(trifluoromethylsulfonyl)azanide;5-butyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;iron(3+);1,2,3,5-tetramethylcyclopenta-1,3-diene
• CAS: 1209012-06-5
• 化学式: C₂F₆NO₄S₂*C₂₂H₃₄Fe
• 分子量: 634.508
• InChiKey: VXGOAJZEFOFFIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.68
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  n-butyloctamethylferrocene 、 双三氟甲烷磺酰亚胺银盐 以 二氯甲烷 为溶剂， 以99%的产率得到butyloctamethylferrocenium bis(trifluoromethanesulfonyl)amide
  参考文献：
  名称：

  Magnetic memory based on magnetic alignment of a paramagnetic ionic liquid near room temperature

  摘要：

  已经开发出一种顺磁性二茂铁基离子液体，具有磁记忆效应和液固相变。基于磁各向异性二茂铁阳离子的场排列，固态磁化率可以通过永磁体的弱磁场（<1 T）进行调节。

  DOI：

  10.1039/c0cc05820c

文献信息

• Thermal properties of alkyloctamethylferrocenium salts with TFSA and TCNE (TFSA = bis(trifluoromethylsulfonyl)amide and TCNE = tetracyanoethylene)
  作者：Yusuke Funasako、Ken-ichi Abe、Tomoyuki Mochida

  DOI：10.1016/j.tca.2011.01.013

  日期：2012.3

  Butyl- and hexyloctamethylferrocenium salts with bis(trifluoromethylsulfonyl)amide (TFSA) and tetracyanoethylene (TCNE) were prepared, and their thermal properties were investigated by differential scanning calorimetry (DSC) measurements. The TFSA salts were ionic liquids with melting points of 34.4 degrees C and 27.7 degrees C, respectively. The TCNE salts were prepared by annealing the mixture of alkyloctamethylferrocene and TCNE. These salts exhibited high melting points of 100.2 degrees C and 80.9 degrees C, respectively; they were thermally unstable at higher temperatures. A butyloctamethylferrocenium salt with PCNP (pentacyanopropenide), obtained by a reaction with TCNE under ambient conditions, was crystallographically characterized. The structure was severely disordered, consisting of alternately stacked cations and anions. (C) 2011 Elsevier B.V. All rights reserved.