2-ethyl triflate | 132539-97-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-ethyl triflate
• 英文别名: 2-[Methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate
• CAS: 132539-97-0
• 化学式: C₅H₁₀F₃NO₅S₂
• 分子量: 285.265
• InChiKey: KXDWTQWFMMTEFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  97.5
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-<(hydroxyimino)methyl>-1-methylimidazole 、 2-ethyl triflate 以79%的产率得到
  参考文献：
  名称：

  GOFF, DANE A.;KOOLPE, GARY A.;KELSON, ANDREW B.;VU, HUYNH M.;TAYLOR, DORR+, J. MED. CHEM., 34,(1991) N, C. 1363-1366

  摘要：

  DOI：
• 作为产物：
  描述：

  2-ethanol 、 三氟甲磺酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以86%的产率得到2-ethyl triflate
  参考文献：
  名称：

  Quaternary salts of 2-[(hydroxyimino)methyl]imidazole. 4. Effect of various side-chain substituents on therapeutic activity against anticholinesterase intoxication

  摘要：

  A series of quaternary salt derivatives of 2-[(hydroxyimino)methyl]-1-methylimidazole incorporating various side chains bearing ether, silyl, nitrile, ester, halogen, nitro, sulfone, amino, or aminosulfonyl substituents was prepared and evaluated in vivo for the treatment of anticholinesterase intoxication. Test results in the mouse revealed that the type and location of the side-chain substituent both have a significant influence on the toxicity and antidotal effectiveness of the compounds. Some of the more active examples represent the most potent therapeutics to date against intoxication by the powerful cholinesterase inhibitors soman and tabun. Significantly, the antidotal effectiveness of the compounds was not dependent on the inhibiting agent nor was there any correlation between in vivo efficacy and in vitro reactivation of ethyl (4-nitrophenyl)methylphosphonate inhibited human acetylcholinesterase. These observations suggested that the main mode of antidotal protection by the compounds is something other than enzyme reactivation.

  DOI：

  10.1021/jm00108a019