3-(3-甲氧基苯基)-5-苯基-1,2,4-恶二唑 | 838583-93-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(3-甲氧基苯基)-5-苯基-1,2,4-恶二唑
• 英文名称: 3-(3-methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
• CAS: 838583-93-0
• 化学式: C₁₅H₁₂N₂O₂
• mdl: MFCD03884922
• 分子量: 252.272
• InChiKey: BCPKNGXSTSALRM-UHFFFAOYSA-N

物化性质

• 沸点：
  422.0±47.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 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：
  48.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲酰腈 、 3-甲氧基苄胺肟 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以79%的产率得到3-(3-甲氧基苯基)-5-苯基-1,2,4-恶二唑
  参考文献：
  名称：

  Microwave assisted synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from substituted amidoximes and benzoyl cyanides

  摘要：

  We report herein the synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from amidoximes and substituted or unsubstituted benzoyl cyanides under microwave irradiation. Substituted or unsubstituted O-carboxyphenyl amidoxime is a key intermediate of this alternative method developed for the synthesis of these heterocycles. These reactions employ simple synthetic protocols devoid of lengthy purification procedures and proceed with good yield. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.101

文献信息

• A facile approach to synthesize 3,5-disubstituted-1,2,4-oxadiazoles via copper-catalyzed-cascade annulation of amidines and methylarenes
  作者：Wei Guo、Kunbo Huang、Fanghua Ji、Wanqing Wu、Huanfeng Jiang

  DOI：10.1039/c5cc02110c

  日期：——

  Various 3,5-disubstituted-1,2,4-oxadiazoles are smoothly formed via copper-catalyzed cascade annulation of amidines and methylarenes. This tandem oxidation-amination-cyclization transformation represents a straightforward protocol to prepare 1,2,4-oxadiazoles from easily available starting materials, with...

  各种3,5-二取代-1,2,4-恶二唑是通过铜催化的am和甲基芳烃的级联环化反应顺利形成的。这种串联的氧化-胺化-环化反应代表了一种简单的方法，可以从容易获得的起始原料中制备1,2,4-恶二唑，并采用...
• COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS
  申请人：He Xiaohui

  公开号：US20110172278A1

  公开（公告）日：2011-07-14

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with or mediated by G protein-coupled receptors, in particular G protein-coupled receptor 120.

  本发明提供了化合物、包含这些化合物的药物组合物以及使用这些化合物治疗或预防与G蛋白偶联受体相关或介导的疾病或障碍的方法，特别是G蛋白偶联受体120。
• US8362050B2
  申请人：——

  公开号：US8362050B2

  公开（公告）日：2013-01-29
• Microwave assisted synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from substituted amidoximes and benzoyl cyanides
  作者：Shivaji Kandre、Pundlik Rambhau Bhagat、Rajiv Sharma、Amol Gupte

  DOI：10.1016/j.tetlet.2013.04.101

  日期：2013.7

  We report herein the synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from amidoximes and substituted or unsubstituted benzoyl cyanides under microwave irradiation. Substituted or unsubstituted O-carboxyphenyl amidoxime is a key intermediate of this alternative method developed for the synthesis of these heterocycles. These reactions employ simple synthetic protocols devoid of lengthy purification procedures and proceed with good yield. (c) 2013 Elsevier Ltd. All rights reserved.