4-(三氟甲基)-N-(4-(甲硫基)苯基)苯甲酰胺 | 1042889-81-5

• 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: 4-(三氟甲基)-N-(4-(甲硫基)苯基)苯甲酰胺
• 英文名称: 4-(trifluoromethyl)-N-(4-(methylthio)phenyl)benzamide
• 英文别名: N-(4-(methylthio)phenyl)-4-(trifluoromethyl)benzamide；N-(4-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
• CAS: 1042889-81-5
• 化学式: C₁₅H₁₂F₃NOS
• 分子量: 311.328
• InChiKey: PFLQUKMSHMINGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(三氟甲基)-N-(4-(甲硫基)苯基)苯甲酰胺 在 sodium azide 、 四氯化硅 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors

  摘要：

  A series of novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors was prepared via treatment of various diaryl amides with tetrachlorosilane/sodium azide. All compounds were tested in cyclooxygenase (COX) assays in vitro to determine COX-1 and COX-2 inhibitory potency and selectivity. Tetrazoles contained a methylsulfonyl or sulfonamide group as COX-2 pharmacophore displayed only low inhibitory potency towards COX-2. Most potent compounds showed IC50 values of 6 and 7 mu M for COX-2. All compounds showed IC50 values greater 100 mu M for COX-1 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.093
• 作为产物：
  描述：

  4-三氟甲基苯甲酸 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 4-(三氟甲基)-N-(4-(甲硫基)苯基)苯甲酰胺
  参考文献：
  名称：

  Novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors

  摘要：

  A series of novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors was prepared via treatment of various diaryl amides with tetrachlorosilane/sodium azide. All compounds were tested in cyclooxygenase (COX) assays in vitro to determine COX-1 and COX-2 inhibitory potency and selectivity. Tetrazoles contained a methylsulfonyl or sulfonamide group as COX-2 pharmacophore displayed only low inhibitory potency towards COX-2. Most potent compounds showed IC50 values of 6 and 7 mu M for COX-2. All compounds showed IC50 values greater 100 mu M for COX-1 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.093

文献信息

• Thianthrene Radical Cation as a Transient<scp>SET</scp>Mediator: Photoinduced Thiocyanation and Selenocyanation of Arylthianthrenium Salts^†
  作者：Xiao‐Yue Chen、Xin Kuang、Yichen Wu、Jian Zhou、Peng Wang

  DOI：10.1002/cjoc.202300188

  日期：2023.8.15

  A novel transient SET mediator approach has been developed for the photoinduced radical-radical cross coupling reaction. Using the in-situ generated thianthrene radical cation as the transient SET mediator, the thiocyanation and selenocyanation of aryl thianthrenium salts have been realized under the mild conditions without the need for photocatalyst or single electron donor. In comparison with the

  一种新型瞬态 SET 介体方法已被开发用于光诱导自由基-自由基交叉偶联反应。利用原位产生的噻蒽自由基阳离子作为瞬态SET介体，在温和条件下实现了芳基噻蒽鎓盐的硫氰化和硒氰化，无需光催化剂或单一电子给体。与光触媒工艺相比，该方案具有条件温和、操作简单、底物范围广泛、优异的官能团和杂环耐受性等特点。由于芳基噻啉鎓盐的可行可及性，该方法也已应用于生物活性分子的有效合成以及复杂芳烃的后期功能化。
• Novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors
  作者：Baker Jawabrah Al-Hourani、Sai Kiran Sharma、Mavanur Suresh、Frank Wuest

  DOI：10.1016/j.bmcl.2012.01.093

  日期：2012.3

  A series of novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors was prepared via treatment of various diaryl amides with tetrachlorosilane/sodium azide. All compounds were tested in cyclooxygenase (COX) assays in vitro to determine COX-1 and COX-2 inhibitory potency and selectivity. Tetrazoles contained a methylsulfonyl or sulfonamide group as COX-2 pharmacophore displayed only low inhibitory potency towards COX-2. Most potent compounds showed IC50 values of 6 and 7 mu M for COX-2. All compounds showed IC50 values greater 100 mu M for COX-1 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.