2-(3-Trifluoromethyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxylic acid methylamide | 146138-11-6

• 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: 2-(3-Trifluoromethyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxylic acid methylamide
• CAS: 146138-11-6
• 化学式: C₁₄H₁₄F₃NOS
• 分子量: 301.332
• InChiKey: JPMSGBQGSWCKLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-(3-Trifluoromethyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxylic acid methylamide 在 sodium periodate 作用下， 以66%的产率得到1-Oxo-2-(3-trifluoromethyl-phenyl)-1,2,3,6-tetrahydro-1λ⁴-thiopyran-2-carboxylic acid methylamide
  参考文献：
  名称：

  A hetero Diels-Alder approach to novel thiopyran analogues of aprikalim, A potassium channel activator

  摘要：

  Alpha-Thioketo-ester (6) derived from Bunte salt (5) has been shown to undergo a hetero Diels-Alder reaction with a variety of dienes to form the basis of a concise synthesis of dihydrothiopyran analogues of the potassium channel activator aprikalim.

  DOI：

  10.1016/s0040-4039(00)60834-1
• 作为产物：
  描述：

  2-(3-Trifluoromethyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxylic acid ethyl ester 在 oxallyl chloride 、 lithium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 生成 2-(3-Trifluoromethyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxylic acid methylamide
  参考文献：
  名称：

  A hetero Diels-Alder approach to novel thiopyran analogues of aprikalim, A potassium channel activator

  摘要：

  Alpha-Thioketo-ester (6) derived from Bunte salt (5) has been shown to undergo a hetero Diels-Alder reaction with a variety of dienes to form the basis of a concise synthesis of dihydrothiopyran analogues of the potassium channel activator aprikalim.

  DOI：

  10.1016/s0040-4039(00)60834-1