1-(3-trifluorometylphenyl)-3-carbethoxy-4,5,6,7-tetrahydroindazole | 123345-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3-trifluorometylphenyl)-3-carbethoxy-4,5,6,7-tetrahydroindazole
• 英文别名: 1-(3-Trifluoromethylphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid ethyl ester；4,5,6,7-Tetrahydro-1-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxylic acid ethyl ester；ethyl 1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxylate
• CAS: 123345-83-5
• 化学式: C₁₇H₁₇F₃N₂O₂
• 分子量: 338.329
• InChiKey: ZDHARHJBDMNSII-UHFFFAOYSA-N

物化性质

• 熔点：
  77-78 °C
• 沸点：
  444.7±45.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(3-trifluorometylphenyl)-3-carbethoxy-4,5,6,7-tetrahydroindazole 以 四氢呋喃 为溶剂， 生成 1-(3-Trifluoromethylphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-methanol
  参考文献：
  名称：

  Cyclopentapyrazole and tetrahydroindazole compounds and their use as

  摘要：

  本发明提供了新的物质组合物及其治疗应用。更具体地说，本发明包括新颖的环戊吡唑和四氢吲唑化合物，其化学式为XXX，以及它们用作抗过敏剂、抗炎剂或中间体的用途。

  公开号：

  US04851425A1
• 作为产物：
  描述：

  1-吗啉基-1-环己烯 、 2-chloro-2-(3-trifluoromethylphenylhydrazono)acetic acid ethyl ester 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以35%的产率得到1-(3-trifluorometylphenyl)-3-carbethoxy-4,5,6,7-tetrahydroindazole
  参考文献：
  名称：

  New cycloalkylpyrazoles as potential cyclooxygenase inhibitors

  摘要：

  In this study some cycloalkyl-3-(N-substituted carbamoyl)-1-phenylpyrazoles have been synthesized in order to screen their capability to inhibit human cyclooxygenase. The synthetic pathway is based on the well known property of nitrilimines to undergo 1,3-dipolar cycloaddition reactions. The structures of all the synthesized compounds have been elucidated by means of both analytical and spectroscopic methods. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00090-1

文献信息

• SMITH, HERMAN W.
  作者：SMITH, HERMAN W.

  DOI：——

  日期：——
• US4851425A
  申请人：——

  公开号：US4851425A

  公开（公告）日：1989-07-25
• [EN] CYCLOPENTAPYRAZOLE AND TETRAHYDROINDAZOLE COMPOUNDS
  申请人：——

  公开号：WO1986007357A3

  公开（公告）日：1987-04-23
• Cyclopentapyrazole and tetrahydroindazole compounds and their use as
  申请人：The Upjohn Company

  公开号：US04851425A1

  公开（公告）日：1989-07-25

  The present invention provides novel compositions of matter and their therapeutic applications. More particularly, the present invention consists of novel cyclopentapyrazole and tetrahydroindazole compounds of formula XXX and their use as antiallergy agents, antiinflammatory agents or intermediates. ##STR1##

  本发明提供了新的物质组合物及其治疗应用。更具体地说，本发明包括新颖的环戊吡唑和四氢吲唑化合物，其化学式为XXX，以及它们用作抗过敏剂、抗炎剂或中间体的用途。
• New cycloalkylpyrazoles as potential cyclooxygenase inhibitors
  作者：M.C. Cardia、L. Corda、A.M. Fadda、A.M. Maccioni、E. Maccioni、A. Plumitallo

  DOI：10.1016/s0014-827x(98)00090-1

  日期：1998.11

  In this study some cycloalkyl-3-(N-substituted carbamoyl)-1-phenylpyrazoles have been synthesized in order to screen their capability to inhibit human cyclooxygenase. The synthetic pathway is based on the well known property of nitrilimines to undergo 1,3-dipolar cycloaddition reactions. The structures of all the synthesized compounds have been elucidated by means of both analytical and spectroscopic methods. (C) 1998 Elsevier Science S.A. All rights reserved.