2-(3-Trifluoromethyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxylic acid ethyl ester | 146138-06-9

• 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 ethyl ester
• 英文别名: Ethyl 6-[3-(trifluoromethyl)phenyl]-2,5-dihydrothiopyran-6-carboxylate
• CAS: 146138-06-9
• 化学式: C₁₅H₁₅F₃O₂S
• 分子量: 316.344
• InChiKey: YZELYUXMBSBMQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  3-三氟甲基苯乙酸乙酯 在 N-溴代丁二酰亚胺(NBS) 、 sodium thiosulfate 、 三乙胺 、 calcium chloride 作用下， 以 乙醇 为溶剂， 生成 2-(3-Trifluoromethyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxylic acid ethyl ester
  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

文献信息

• A hetero Diels-Alder approach to novel thiopyran analogues of aprikalim, A potassium channel activator
  作者：Ivan L. Pinto、Derek R. Buckle、Harshad K. Rami、David G. Smith

  DOI：10.1016/s0040-4039(00)60834-1

  日期：——

  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.