(2-amino-4-chlorophenyl)(4-trifluoromethyl)phenylmethanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-amino-4-chlorophenyl)(4-trifluoromethyl)phenylmethanone
• 英文别名: (2-Amino-4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
• 化学式: C₁₄H₉ClF₃NO
• 分子量: 299.68
• InChiKey: AVEMKWMZXKPQOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2-amino-4-chlorophenyl)(4-trifluoromethyl)phenylmethanone 在 copper(I) bromide 、 亚硝酸异戊酯 作用下， 以 乙腈 为溶剂， 以2.2 g的产率得到(2-Bromo-4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
  参考文献：
  名称：

  WO2023/16562

  摘要：

  公开号：
• 作为产物：
  描述：

  一氧化碳 、 5-氯-2-碘苯胺 、 4-三氟甲基苯硼酸 在 potassium carbonate 、 三乙胺 、 palladium dichloride 作用下， 反应 41.0h， 以55%的产率得到(2-amino-4-chlorophenyl)(4-trifluoromethyl)phenylmethanone
  参考文献：
  名称：

  COtab: Expedient and Safe Setup for Pd-Catalyzed Carbonylation Chemistry

  摘要：

  Bench-stable tablets (COtabs) have been developed for the rapid and safe production of carbon monoxide. The tablets can be made in less than 5 min without the use of a glovebox and only require a stock solution of an amine base to liberate a specific quantity of CO in a two-chamber system. The COtabs were tested in five different carbonylation reactions and provided similar yields compared to literature procedures. Finally, a gram-scale reaction was conducted, as well as C-13-isotope labeling of the anticancer drug, olaparib.

  DOI：

  10.1021/acs.orglett.9b01423

文献信息

• COtab: Expedient and Safe Setup for Pd-Catalyzed Carbonylation Chemistry
  作者：Hugo P. Collin、Wallace J. Reis、Dennis U. Nielsen、Anders T. Lindhardt、Marcelo S. Valle、Rossimiriam P. Freitas、Troels Skrydstrup

  DOI：10.1021/acs.orglett.9b01423

  日期：2019.8.2

  Bench-stable tablets (COtabs) have been developed for the rapid and safe production of carbon monoxide. The tablets can be made in less than 5 min without the use of a glovebox and only require a stock solution of an amine base to liberate a specific quantity of CO in a two-chamber system. The COtabs were tested in five different carbonylation reactions and provided similar yields compared to literature procedures. Finally, a gram-scale reaction was conducted, as well as C-13-isotope labeling of the anticancer drug, olaparib.
• WO2023/16562
  申请人：——

  公开号：——

  公开（公告）日：——