2-(benzoxazol-2-ylamino)phenol | 21326-85-2

• 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-(benzoxazol-2-ylamino)phenol
• 英文别名: 2-(1,3-Benzoxazol-2-ylamino)phenol
• CAS: 21326-85-2
• 化学式: C₁₃H₁₀N₂O₂
• 分子量: 226.235
• InChiKey: YQVFYTIIDXRRDN-UHFFFAOYSA-N

物化性质

• 沸点：
  383.4±44.0 °C(Predicted)
• 密度：
  1.379±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(benzoxazol-2-ylamino)phenol 、 对甲基苯甲醛 在 碘 、 N,N-二甲基甲酰胺 作用下， 以 氯苯 为溶剂， 以30%的产率得到2-(4-甲基苯基)苯并噁唑; 2-(4-甲基苯基)-1,3-苯并噁唑
  参考文献：
  名称：

  Iodine-mediated arylation of benzoxazoles with aldehydes

  摘要：

  一种简单高效的方法已被开发，用于使用碘作为媒介对苯并噁唑进行芳香烃化反应，反应顺利进行，适用于多种底物，得到相应的芳香烃化产物，产率在中等到良好之间。

  DOI：

  10.1039/c3gc41027g
• 作为产物：
  描述：

  苯并恶唑 在 碘 作用下， 以 氯苯 为溶剂， 以30%的产率得到2-(benzoxazol-2-ylamino)phenol
  参考文献：
  名称：

  Iodine-mediated arylation of benzoxazoles with aldehydes

  摘要：

  一种简单高效的方法已被开发，用于使用碘作为媒介对苯并噁唑进行芳香烃化反应，反应顺利进行，适用于多种底物，得到相应的芳香烃化产物，产率在中等到良好之间。

  DOI：

  10.1039/c3gc41027g

文献信息

• METHODS OF TREATING PAIN WITH A THIAZOLINE ANTI-HYPERALGESIC
  申请人：CERSCI THERAPEUTICS, INC.

  公开号：US20200246318A1

  公开（公告）日：2020-08-06

  Methods of treating diabetic neuropathic pain and post-surgical pain are provided. The methods include administering to an individual a therapeutically effective amount of a compound of Formula I (Compound 1). The method can be used to treat diabetic neuropathy arising from any type of nerve damage, and can also be used to treat post-surgical pain arising from any surgical procedure without the side effects associated with widely used analgesics such as opioids. Compound 1 can be formulated into many suitable dosage forms, including oral dosage forms such as tablets.

  本发明提供了治疗糖尿病神经病变性疼痛和术后疼痛的方法。该方法包括向个体施用化合物I (化合物1)的治疗有效量。该方法可用于治疗由于任何类型的神经损伤引起的糖尿病神经病变，还可用于治疗由任何手术程序引起的术后疼痛，而不会出现与广泛使用的镇痛药物如阿片类药物相关的副作用。化合物1可以制成许多适合的剂型，包括口服剂型如片剂。
• Manufacturing methods and polymorphs of a thiazoline anti-hyperalgesic agent
  申请人：ACADIA PHARMACEUTICALS INC.

  公开号：US11161826B2

  公开（公告）日：2021-11-02

  Provided herein are methods of making a thiazoline anti-hyperalgesic, Compound 1, and polymorphs thereof. The methods described herein use inexpensive reagents and are capable of providing Compound 1 in commercial-scale quantities. Also provided are pharmaceutical compositions of Compound 1 suitable for human administration.

  本文提供了制造噻唑啉类抗镇痛药化合物 1 及其多晶型物的方法。本文所述方法使用的试剂价格低廉，能够以商业规模提供化合物 1。此外，还提供了适合人体服用的化合物 1 药物组合物。
• METHODS OF TREATING DIABETIC NEUROPATHY WITH A THIAZOLINE ANTI-HYPERALGESIC AGENT
  申请人：CERSCI THERAPEUTICS, INC.

  公开号：US20200246317A1

  公开（公告）日：2020-08-06

  Methods of treating diabetic neuropathy and pain associated with diabetes are provided. The methods include administering to an individual a therapeutically effective amount of a compound of Formula I (Compound 1). The method can be used to treat diabetic neuropathy pain arising from type I or type II diabetes. Compound 1 can be formulated into many suitable dosage forms, including oral dosage forms such as tablets.
• METHODS OF TREATING POST-SURGICAL PAIN WITH A THIAZOLINE ANTI-HYPERALGESIC AGENT
  申请人：CERSCI THERAPEUTICS, INC.

  公开号：US20200246316A1

  公开（公告）日：2020-08-06

  Methods of treating post-surgical pain are provided. The methods include administering to an individual a therapeutically effective amount of a compound of Formula I (Compound 1). The method can be used to treat post-surgical pain arising from any surgical procedure without the side effects associated with widely used analgesics such as opioids. Compound 1 can be formulated into many suitable dosage forms, including oral dosage forms such as tablets.
• MANUFACTURING METHODS AND POLYMORPHS OF A THIAZOLINE ANTI-HYPERALGESIC AGENT
  申请人：CERSCI THERAPEUTICS, INC.

  公开号：US20200354328A1

  公开（公告）日：2020-11-12

  Provided herein are methods of making a thiazoline anti-hyperalgesic, Compound 1, and polymorphs thereof. The methods described herein use inexpensive reagents and are capable of providing Compound 1 in commercial-scale quantities. Also provided are pharmaceutical compositions of Compound 1 suitable for human administration.