2-(1,3-Benzoxazol-6-yl)acetic acid | 1181334-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-(1,3-Benzoxazol-6-yl)acetic acid
• CAS: 1181334-47-3
• 化学式: C₉H₇NO₃
• 分子量: 177.159
• InChiKey: YDGAYOGFRQLWOH-UHFFFAOYSA-N

物化性质

• 沸点：
  351.5±17.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1,3-Benzoxazol-6-yl)acetic acid 在 正丁基锂 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 5.5h， 生成 (S)-3-(2-(benzo[d]oxazol-5-yl)acetyl)-4-isopropyl-5,5-dimethyloxazolidin-2-one
  参考文献：
  名称：

  Stereoselective α-Fluorination of N-Acyloxazolidinones at Room Temperature within 1 h

  摘要：

  A direct alpha-fluorination of N-acyloxazolidinones based on the unique reactivity of group IVa metal enolates has been developed. The reaction is an experimentally simple, low-cost, quick, and energy-efficient alternative for asymmetric alpha-fluorination of N-acyloicazolidinones. Preliminary studies have shown compatibility with alkyl, alkenyl, and alkynyl, aromatic, and several heteroaromatic substituents. High diastereoselectivities have been achieved with most substrates tested, and the reaction is typically complete within 1 h at ambient temperature.

  DOI：

  10.1021/jo500957d
• 作为产物：
  描述：

  4-羟基-3-硝基苯乙酸 、 原甲酸三乙酯 在 palladium on carbon 、 氢气 、 水 、 sodium hydroxide 作用下， 以 乙醇 、 乙酸乙酯 、 甲醇 为溶剂， 反应 44.0h， 以41%的产率得到2-(1,3-Benzoxazol-6-yl)acetic acid
  参考文献：
  名称：

  Stereoselective α-Fluorination of N-Acyloxazolidinones at Room Temperature within 1 h

  摘要：

  A direct alpha-fluorination of N-acyloxazolidinones based on the unique reactivity of group IVa metal enolates has been developed. The reaction is an experimentally simple, low-cost, quick, and energy-efficient alternative for asymmetric alpha-fluorination of N-acyloicazolidinones. Preliminary studies have shown compatibility with alkyl, alkenyl, and alkynyl, aromatic, and several heteroaromatic substituents. High diastereoselectivities have been achieved with most substrates tested, and the reaction is typically complete within 1 h at ambient temperature.

  DOI：

  10.1021/jo500957d

文献信息

• TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITION OF HSP90
  申请人：Sloan-Kettering Institute for Cancer Research

  公开号：EP3305297A1

  公开（公告）日：2018-04-11

  Treatment of neurodegenerative diseases is achieved using small molecule purine scaffold compounds that inhibit Hsp90 and that possess the ability to cross the blood-brain barrier or are otherwise delivered to the brain.

  治疗神经退行性疾病的方法是使用抑制 Hsp90 的小分子嘌呤支架化合物，这些化合物能够穿过血脑屏障或以其他方式输送到大脑。