2-Borono-1-benzofuran-5-carboxylic acid | 1384435-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-Borono-1-benzofuran-5-carboxylic acid
• CAS: 1384435-70-4
• 化学式: C₉H₇BO₅
• 分子量: 205.963
• InChiKey: HKDGMFRTTWKZTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.19
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.9
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Borono-1-benzofuran-5-carboxylic acid 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 氨 、 sodium carbonate 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of pyridylbenzofuran, pyridylbenzothiazole and pyridylbenzoxazole derivatives as 18F-PET imaging agents for β-amyloid plaques

  摘要：

  The synthesis and SAR of new beta-amyloid binding agents are reported. Evaluation of important properties for achieving good signal-to-background ratio is described. Compounds 27, 33, and 36 displayed desirable lipophilic and pharmacokinetic properties. Compound 27 was further evaluated with autoradiographic studies in vitro on human brain tissue and in vivo in Tg2576 mice. Compound 27 showed an increased signal-to-background ratio compared to flutemetamol 4, indicating its suitability as PET ligand for b-amyloid deposits in AD patients. The preparation of the corresponding F-18-labeled PET radioligand of compound 27 is presented. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.011
• 作为产物：
  描述：

  1-苯并呋喃-5-甲酸 在 正丁基锂 、 硼酸三异丙酯 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到2-Borono-1-benzofuran-5-carboxylic acid
  参考文献：
  名称：

  Synthesis and evaluation of pyridylbenzofuran, pyridylbenzothiazole and pyridylbenzoxazole derivatives as 18F-PET imaging agents for β-amyloid plaques

  摘要：

  The synthesis and SAR of new beta-amyloid binding agents are reported. Evaluation of important properties for achieving good signal-to-background ratio is described. Compounds 27, 33, and 36 displayed desirable lipophilic and pharmacokinetic properties. Compound 27 was further evaluated with autoradiographic studies in vitro on human brain tissue and in vivo in Tg2576 mice. Compound 27 showed an increased signal-to-background ratio compared to flutemetamol 4, indicating its suitability as PET ligand for b-amyloid deposits in AD patients. The preparation of the corresponding F-18-labeled PET radioligand of compound 27 is presented. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.011