(4,5-dimethyl-2-trifluoromethyl-3,6-dihydro-2H-thiopyran-2-yl)morpholinium trifluoromethane sulfonate | 1214893-15-8

• 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: (4,5-dimethyl-2-trifluoromethyl-3,6-dihydro-2H-thiopyran-2-yl)morpholinium trifluoromethane sulfonate
• CAS: 1214893-15-8
• 化学式: CHF₃O₃S*C₁₂H₁₈F₃NOS
• 分子量: 431.421
• InChiKey: GGIOJTNWJDLBOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.44
• 重原子数：
  26.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  66.84
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  三氟甲磺酸 、 4-(4,5-dimethyl-2-trifluoromethyl-3,6-dihydro-2H-thiopyran-2-yl)morpholine 以 正己烷 为溶剂， 反应 16.0h， 以92%的产率得到(4,5-dimethyl-2-trifluoromethyl-3,6-dihydro-2H-thiopyran-2-yl)morpholinium trifluoromethane sulfonate
  参考文献：
  名称：

  First synthesis of 2-aminosubstituted-2-perfluoroalkyl-3,6-dihydro-2H-thiopyrans by hetero-Diels–Alder reactions of fluorinated thioamides under microwave heating

  摘要：

  This Letter presents the first examples of hetero-Diels-Alder reactions of polyfluoroalkanethiocarboxylic acid amides and 2,3-dimethylbutadiene under microwave heating. Cycloaddition reactions proved to be dependent on the nature of perfluoroalkyl chain and on the substituents attached to the nitrogen atom. Formation of ammonium salts was also performed by simple treatment of the corresponding cycloadducts with trifluoromethanesulfonic acid. In the case of octafluorobutyl-substituted derivative, one spontaneous desamination reaction took place leading to new 2H-thiopyran. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.064