[(trifluoromethylsulfonyloxy)methylidene]ammonium | 1329459-26-8

• 英文名称: [(trifluoromethylsulfonyloxy)methylidene]ammonium
• CAS: 1329459-26-8
• 化学式: C₂H₂F₃NO₃S*H
• 分子量: 178.112
• InChiKey: GANYPYDOUGGQIY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.22
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [(trifluoromethylsulfonyloxy)methylidene]ammonium 在 三氟甲磺酸 作用下， 反应 1008.0h， 以61%的产率得到(hydroxymethylidene)ammonium trifluoromethanesulfonate
  参考文献：
  名称：

  Reaction of 10,10-dimethyl-9-trimethylsiloxy-9,10-dihydrophenanthrene-9-carbonitrile with acids

  摘要：

  The behavior of 10,10-dimethyl-9-trimethylsiloxy-9,10-dihydrophenanthrene-9-carbonitrile in trifluoromethanesulfonic acid and acid systems CF(3)SO(3)H-CD(2)Cl(2), HSO(3)F-SO(2)ClF-CD(2)Cl(3), and CF(3)COOH-CD(2)Cl(2) were studied by NMR spectroscopy. Principal reaction schemes were determined; the first step in these schemes is protonation of the initial compound at the oxygen or nitrogen atom.

  DOI：

  10.1134/s1070428011070141
• 作为产物：
  描述：

  三氟甲磺酸 、 10,10-dimethyl-9-trimethylsilyloxy-9,10-dihydrophenanthrene-9-carbonitrile 生成 三氟甲磺酸三甲基硅酯 、 9-cyano-9,10-dimethylphenanthren-10-ylium 、 [(trifluoromethylsulfonyloxy)methylidene]ammonium 、 9-hydroxy-10,10-dimethyl-9,10-dihydrophenanthren-9-ylium
  参考文献：
  名称：

  Reaction of 10,10-dimethyl-9-trimethylsiloxy-9,10-dihydrophenanthrene-9-carbonitrile with acids

  摘要：

  The behavior of 10,10-dimethyl-9-trimethylsiloxy-9,10-dihydrophenanthrene-9-carbonitrile in trifluoromethanesulfonic acid and acid systems CF(3)SO(3)H-CD(2)Cl(2), HSO(3)F-SO(2)ClF-CD(2)Cl(3), and CF(3)COOH-CD(2)Cl(2) were studied by NMR spectroscopy. Principal reaction schemes were determined; the first step in these schemes is protonation of the initial compound at the oxygen or nitrogen atom.

  DOI：

  10.1134/s1070428011070141