3-chloro-5-hydroxymethylbenzoic acid | 153203-56-6

• 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: 3-chloro-5-hydroxymethylbenzoic acid
• 英文别名: 3-Chloro-5-(hydroxymethyl)benzoic acid
• CAS: 153203-56-6
• 化学式: C₈H₇ClO₃
• 分子量: 186.595
• InChiKey: YHAPNPLLWRVMJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-5-hydroxymethylbenzoic acid 在 potassium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 32.0h， 生成 tert-butyl 3-(4-(1-(3-chloro-5-(methylcarbamoyl)benzyl)-1H-pyrazol-3-yl)-6-(4-fluorophenyl)pyridin-3-yl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD
  [FR] 2-PYRAZOLE ANILINES ET ANALOGUES APPARENTÉS POUR INHIBER YAP/TAZ-TEAD

  摘要：

  The present disclosure relates to novel compounds, to said compounds for use as a medicine, more in particular for the prevention or treatment of diseases mediated by activity of YAP/TAZ-TEAD transcription, yet more in particular for the prevention or treatment of cancer or fibrosis. The present disclosure also relates to a method for the prevention or treatment of said diseases comprising the use of the novel compounds.

  公开号：

  WO2023122780A2
• 作为产物：
  描述：

  3-氯-5-(羟甲基)苯甲酸甲酯 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以900 mg的产率得到3-chloro-5-hydroxymethylbenzoic acid
  参考文献：
  名称：

  [EN] 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD
  [FR] 2-PYRAZOLE ANILINES ET ANALOGUES APPARENTÉS POUR INHIBER YAP/TAZ-TEAD

  摘要：

  The present disclosure relates to novel compounds, to said compounds for use as a medicine, more in particular for the prevention or treatment of diseases mediated by activity of YAP/TAZ-TEAD transcription, yet more in particular for the prevention or treatment of cancer or fibrosis. The present disclosure also relates to a method for the prevention or treatment of said diseases comprising the use of the novel compounds.

  公开号：

  WO2023122780A2

文献信息

• N-acetonylbenzamides and their use as fungicides
  申请人：Rohm and Haas Company

  公开号：US05254584A1

  公开（公告）日：1993-10-19

  Certain N-acetonylbenzamides exhibit low phytotoxicity and are useful for control of a wide range of fungi, including phytopathogenic fungi of the classes Oomycetes, Ascomycetes, Deuteromycetes and Basidiomycetes.

  某些N-乙酰基苯甲酰胺表现出低植物毒性，并且对包括卵菌、子囊菌、无性菌和担子菌等多种真菌的控制具有用处。
• N-Acetonylbenzamides and their use as fungicides
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0604019B1

  公开（公告）日：1996-05-08
• US5254584A
  申请人：——

  公开号：US5254584A

  公开（公告）日：1993-10-19
• [EN] 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD<br/>[FR] 2-PYRAZOLE ANILINES ET ANALOGUES APPARENTÉS POUR INHIBER YAP/TAZ-TEAD
  申请人：[en]THE KATHOLIEKE UNIVERSITEIT LEUVEN

  公开号：WO2023122780A2

  公开（公告）日：2023-06-29

  The present disclosure relates to novel compounds, to said compounds for use as a medicine, more in particular for the prevention or treatment of diseases mediated by activity of YAP/TAZ-TEAD transcription, yet more in particular for the prevention or treatment of cancer or fibrosis. The present disclosure also relates to a method for the prevention or treatment of said diseases comprising the use of the novel compounds.