methyl 2-(benzoxazol-2-yl)benzoate | 92533-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 2-(benzoxazol-2-yl)benzoate
• 英文别名: Methyl 2-(1,3-benzoxazol-2-yl)benzoate
• CAS: 92533-24-9
• 化学式: C₁₅H₁₁NO₃
• 分子量: 253.257
• InChiKey: PHKPCKWEJMZZIF-UHFFFAOYSA-N

物化性质

• 沸点：
  379.7±25.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-(benzoxazol-2-yl)benzoate 在 水 、 sodium nitrite 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以91%的产率得到2-(2-carboxyphenyl)benzoxazole
  参考文献：
  名称：

  [EN] NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF
  [FR] COMPOSÉ HÉTÉROCYCLIQUE POLYCYCLIQUE CONTENANT DE L'AZOTE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 含氮杂环的多环化合物及其制备方法和应用

  摘要：

  涉及含氮杂环的多环化合物及其制备方法和应用。尤其是，涉及通式（I）所示的化合物、其制备方法及含有该化合物的药物组合物，及其作为食欲素受体拮抗剂在制备治疗神经系统疾病相关药物中的应用，其中通式I中的各取代基与说明书中的定义相同。

  公开号：

  WO2022194122A1
• 作为产物：
  描述：

  2-(氯羰基)苯甲酸甲酯 以 二氯甲烷 为溶剂， 590.0 ℃ 、6.67 Pa 条件下， 反应 2.5h， 生成 methyl 2-(benzoxazol-2-yl)benzoate
  参考文献：
  名称：

  A Comparison of the Flash Vacuum Pyrolysis Products of Some N-Acylbenzotriazoles and N-Acylbenzisoxazolones

  摘要：

  以下物质的闪速真空热解（f.v.p.）产物 2-(1H-苯并三唑-1-羰基)苯腈、2-(1H-苯并三唑-1-羰基)苯甲酸甲酯和 2-(1H-苯并三唑-1-羰基)苯甲酸甲酯和 1-(2-氯甲基苯甲酰基)-1H-苯并三唑和相应的苯并异噁唑酮类化合物。 苯并异噁唑酮的特征。苯并三唑 衍生物所产生的化合物，其来源表明主要是自由基过程。 过程。在较低温度下，苯并异噁唑酮产生的苯并异噁唑 产物与单碳原子中间体一致，但在较高温度下具有三重 但在较高温度下，它们具有三重二极性质，从而导致 吖啶。氯甲基化合物的主要低温 f.v.p. (氯甲基苯甲酰基)苯并异噁唑酮的主要低温 f.v.p. 产物是 吲哚并[1,2-b]苯并恶唑。

  DOI：

  10.1071/ch99037

文献信息

• [EN] AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS<br/>[FR] AZÉTIDINYL DIAMIDES EN TANT QU'INHIBITEURS DE LA MONOACYLGLYCÉROL LIPASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010124082A1

  公开（公告）日：2010-10-28

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I), wherein Y, Z, R1, and s are defined herein.

  公开了用于治疗各种疾病、综合症、状况和障碍，包括疼痛的化合物、组合物和方法。这些化合物由式（I）表示，其中Y、Z、R1和s在此定义。
• Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases
  申请人：Wilde Richard

  公开号：US20080269191A1

  公开（公告）日：2008-10-30

  The present invention relates to methods, compounds, and compositions for treating or preventing diseases associated with nonsense mutations in an mRNA by administering the compounds or compositions of the present invention. More particularly, the present invention relates to methods, compounds, and compositions for suppressing premature translation termination associated with a nonsense mutation in an mRNA.

  本发明涉及使用本发明的化合物或组合物治疗或预防与mRNA中无意义突变相关的疾病的方法、化合物和组合物。更具体地，本发明涉及用于抑制与mRNA中无意义突变相关的早期翻译终止的方法、化合物和组合物。
• Direct arylation of oxazole and benzoxazole with aryl or heteroaryl halides using a palladium–diphosphine catalyst
  作者：Fazia Derridj、Safia Djebbar、Ouassini Benali-Baitich、Henri Doucet

  DOI：10.1016/j.jorganchem.2007.10.028

  日期：2008.1

  Through the use of PdCl(dppb)(C3H5) as a catalyst, a range of aryl bromides and chlorides undergoes coupling via C-H bond activation/flunctionalization reaction with oxazole or benzoxazole in good yields. This air-stable catalyst can be used at low loadings with several substrates. Surprisingly, better results in terms of substrate/catalyst ratio were obtained in several cases using electron-excessive aryl bromides than with the electron-deficient ones. This seems to be mainly due to the relatively low thermal stability of some of the 2-arylbenzoxazoles formed with electron -deficient aryl halides. With these substrates, in order to obtain higher yields of product, the reactions had to be performed at a lower temperature (100-120 degrees C) using a larger amount of catalyst. On the other hand, in the presence of the most stable products, the reactions were performed at 150 degrees C using as little as 0.2 mol% catalyst. Arylation of benzoxazole with heteroaryl bromides also gave the coupling products in moderate to high yields using 0.2-5 mol% catalyst. With this catalyst, electron-deficient aryl chloride such as 4-chlorobenzonitrile, 4-chloroacetophenone or 2-chloronitrobenzene have also been used successfully. (c) 2007 Elsevier B.V. All rights reserved.
• COMPOUNDS FOR NONSENSE SUPPRESSION, USE OF THESE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES
  申请人：PTC Therapeutics, Inc.

  公开号：EP1812071A2

  公开（公告）日：2007-08-01
• AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP2421825A1

  公开（公告）日：2012-02-29