3-ethyl-4,6-dihydrothieno<3,4-d>pyrazole 5,5-dioxide | 169299-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-ethyl-4,6-dihydrothieno<3,4-d>pyrazole 5,5-dioxide
• 英文别名: 3-ethyl-4,6-dihydro-1H-thieno[3,4-c]pyrazole 5,5-dioxide
• CAS: 169299-79-0
• 化学式: C₇H₁₀N₂O₂S
• 分子量: 186.235
• InChiKey: JHKRYTFIMYIRTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  71.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-ethyl-4,6-dihydrothieno<3,4-d>pyrazole 5,5-dioxide 在 吡啶 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 4.0h， 生成 1-tosyl-3-ethyl-6-phenyl-4,4a,5,7,7a,8-hexahydropyrazolo<4,5-e>isoindole-5,7-dione
  参考文献：
  名称：

  Synthesis of 1-Tosyl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-Dioxides as Precursors to Pyrazole Analogue ofo-Quinodimethane

  摘要：

  A facile synthesis of 3-substituted 1-tosyl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxides from readily prepared 3-(phenylthio)-4-acyl-3-sulfolenes and their use as precursors to o-dimethylene pyrazole in [4 + 2] cycloaddition are described.

  DOI：

  10.1080/00397919608003650
• 作为产物：
  描述：

  1-(4-Chloro-1,1-dioxo-2,5-dihydro-1H-1λ⁶-thiophen-3-yl)-propan-1-one 在 肼 作用下， 以 乙醇 为溶剂， 以90%的产率得到3-ethyl-4,6-dihydrothieno<3,4-d>pyrazole 5,5-dioxide
  参考文献：
  名称：

  A facile preparation of 3-chloro-4-acyl-3-sulfolenes as common intermediates for the synthesis of thieno-, pyrazolo- and lsoxazolo-3-sulfolenest

  摘要：

  本文描述了3-氯-4-酰基-3-磺酰亚胺的便捷制备方法，以及它们在合成噻吩、吡唑和异噁唑-3-磺酰亚胺中的应用，这些化合物可作为杂环邻喹啉二甲烷的等效物。

  DOI：

  10.1039/c39950001349

文献信息

• 4-phenylpiperidines, their preparation and use
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US11028098B2

  公开（公告）日：2021-06-08

  The present invention provide a compound having the structure: (structurally represented) wherein R1, R2, R3, R4, and R5 are each independently H, halogen, CF3 or C1-C4 alkyl; R6 is H, OH, or halogen; B is a substituted or unsubstituted heterobicycle, pyridazine, pyrazole, pyrazine, thiadiazole, or triazole, wherein the heterocycle is other than chloro substituted indole; and the pyrazole, when substituted, is substituted with other than trifluoromethyl, or a pharmaceutically acceptable salt thereof.

  本发明提供一种具有以下结构的化合物：(结构表示）其中R1、R2、R3、R4和R5各自独立地为H、卤素、CF3或C1-C4烷基；R6为H、OH或卤素；B为取代或未取代的杂环、哒嗪、吡唑、吡嗪、噻二唑或三唑，其中杂环为氯取代的吲哚以外的杂环；吡唑被取代时为三氟甲基以外的取代基，或其药学上可接受的盐。
• 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20190031681A1

  公开（公告）日：2019-01-31

  The present invention provide a compound having the structure: (structurally represented) wherein R 1 , R 2 , R 3 , R 4 , and R 5 are each independently H, halogen, CF 3 or C 1 -C 4 alkyl; R 6 is H, OH, or halogen; B is a substituted or unsubstituted heterobicycle, pyridazine, pyrazole, pyrazine, thiadiazole, or triazole, wherein the heterocycle is other than chloro substituted indole; and the pyrazole, when substituted, is substituted with other than trifluoromethyl, or a pharmaceutically acceptable salt thereof.
• US9777010B2
  申请人：——

  公开号：US9777010B2

  公开（公告）日：2017-10-03