4-bromo-5-fluorobenzothiophene-2-carboxylic acid | 826995-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4-bromo-5-fluorobenzothiophene-2-carboxylic acid
• 英文别名: 4-bromo-5-fluoro-1-benzothiophene-2-carboxylic acid；4-Bromo-5-fluoro-benzo[b]thiophene-2-carboxylic acid；4-Bromo-5-fluoro-1-benzothiophene-2-carboxylic acid
• CAS: 826995-59-9
• 化学式: C₉H₄BrFO₂S
• 分子量: 275.098
• InChiKey: BJQKOKOETMCVLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-bromo-5-fluorobenzothiophene-2-carboxylic acid 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 1.0h， 以65%的产率得到4-bromo-5-fluorobenzothiophene
  参考文献：
  名称：

  微波辐射改进合成取代苯并[ b ]噻吩

  摘要：

  描述了一种利用微波辐射合成取代的苯并[ b ]噻吩的简便且高产的方法。

  DOI：

  10.1016/j.tetlet.2004.11.005
• 作为产物：
  描述：

  methyl 4-bromo-5-fluorobenzo[b]thiophene-2-carboxylate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以91.1 %的产率得到4-bromo-5-fluorobenzothiophene-2-carboxylic acid
  参考文献：
  名称：

  ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF

  摘要：

  The invention provides novel anilino-pyrazole derivatives as a cyclin-dependent kinase 2 (CDK2) inhibitors. The invention also provides pharmaceutical compositions comprising the compounds and methods thereof for treating various conditions, diseases and disorders associated with or related to CDK2 activities, or associated with abnormal cell growth, such as tumor growth and cancer.

  公开号：

  WO2023244710A1

文献信息

• An improved synthesis of substituted benzo[b]thiophenes using microwave irradiation
  作者：Daniel Allen、Owen Callaghan、Frederic L. Cordier、David R. Dobson、John R. Harris、Terry M. Hotten、W. Martin Owton、Richard E. Rathmell、Virginia A. Wood

  DOI：10.1016/j.tetlet.2004.11.005

  日期：2004.12

  An easy and high-yielding method for the synthesis of substituted benzo[b]thiophenes using microwave irradiation is described.

  描述了一种利用微波辐射合成取代的苯并[ b ]噻吩的简便且高产的方法。
• ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF
  申请人：[en]ENSEM THERAPEUTICS, INC.

  公开号：WO2023244710A1

  公开（公告）日：2023-12-21

  The invention provides novel anilino-pyrazole derivatives as a cyclin-dependent kinase 2 (CDK2) inhibitors. The invention also provides pharmaceutical compositions comprising the compounds and methods thereof for treating various conditions, diseases and disorders associated with or related to CDK2 activities, or associated with abnormal cell growth, such as tumor growth and cancer.