2-(4-叔丁基苯氧基)丙酰胺 | 16453-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-叔丁基苯氧基)丙酰胺
• 英文名称: 2-(4-tert-butylphenoxy)propanamide
• 英文别名: 2-(4-tert-butyl-phenoxy)-propionic acid amide；2-(4-tert-Butyl-phenoxy)-propionsaeure-amid；rac.-α-<4-tert.-Butyl-phenoxy>-propionsaeureamid
• CAS: 16453-33-1；16453-34-2
• 化学式: C₁₃H₁₉NO₂
• mdl: MFCD01217165
• 分子量: 221.299
• InChiKey: AEEATZXNBFBGAS-UHFFFAOYSA-N

物化性质

• 沸点：
  376.1±35.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-叔丁基苯氧基)丙酰胺 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 以62%的产率得到4-叔丁基苯胺
  参考文献：
  名称：

  Metal-free C–N bond-forming reaction: straightforward synthesis of anilines, through cleavage of aryl C–O bond and amide C–N bond

  摘要：

  An efficient metal-free C-N bond forming reaction through cleavage of aryl C-O bond and amide C-N bond has been developed. This process represents a practical method for the facile construction of anilines with a broad substrate scope and wide functional group tolerance in moderate to excellent yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.028
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 、 氨 作用下， 生成 2-(4-叔丁基苯氧基)丙酰胺
  参考文献：
  名称：

  The Synthesis, Properties and Catalytic Hydrogenation of Several Aryloxy Substituted Ketene Monomers and Dimers

  摘要：

  DOI：

  10.1021/ja01101a022

文献信息

• Hsp70 modulators and methods for making and using the same
  申请人：Memorial Sloan Kettering Cancer Center

  公开号：US10647683B2

  公开（公告）日：2020-05-12

  The present invention, among other things, provides compounds and compositions thereof for use in the modulation of Hsp70. In some embodiments, the present invention provides a method for inhibiting Hsp70 activity. In some embodiments, the present invention provides a method of treating a subject suffering from or susceptible to a disease, disorder, or condition responsive to Hsp70 inhibition comprising administering to the subject a therapeutically effective amount of a provided compound. In some embodiments, the present invention provides a method for treating or preventing cancer in a subject suffering therefrom, comprising administering to a patient in need thereof a therapeutically effective amount of a provided compound.

  除其他外，本发明提供了用于调节 Hsp70 的化合物及其组合物。在一些实施方案中，本发明提供了一种抑制 Hsp70 活性的方法。在一些实施方案中，本发明提供了一种治疗患有或易患对Hsp70抑制有反应的疾病、紊乱或状况的受试者的方法，包括给受试者施用治疗有效量的所提供的化合物。在一些实施方案中，本发明提供了一种治疗或预防癌症患者的方法，包括向有需要的患者施用治疗有效量的所提供的化合物。
• HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME
  申请人：Memorial Sloan Kettering Cancer Center

  公开号：US20170233352A1

  公开（公告）日：2017-08-17

  The present invention provides compounds I and II and compositions thereof for use in the modulation of Hsp70. In some embodiments, the present invention provides a method for inhibiting Hsp70 activity. In some embodiments, the present invention provides a method of treating a subject suffering from or susceptible to a disease, disorder, or condition responsive to Hsp70 inhibition comprising administering to the subject a therapeutically effective amount of a provided compound. In some embodiments, the present invention provides a method for treating or preventing cancer in a subject suffering therefrom, comprising administering to a patient in need thereof a therapeutically effective amount of a provided compound.
• US9878987B2
  申请人：——

  公开号：US9878987B2

  公开（公告）日：2018-01-30