N-(2-(benzo[d]thiazol-2-yl)phenyl)-4-(trifluoromethyl)benzamide

• 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: N-(2-(benzo[d]thiazol-2-yl)phenyl)-4-(trifluoromethyl)benzamide
• 英文别名: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethyl)benzamide
• 化学式: C₂₁H₁₃F₃N₂OS
• 分子量: 398.408
• InChiKey: DLGZGRDCYCNEQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-苯基苯并噻唑 、 3-(4-(trifluoromethyl)phenyl)-1,4,2-dioxazol-5-one 在 silver hexafluoroantimonate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 20.0h， 以58%的产率得到N-(2-(benzo[d]thiazol-2-yl)phenyl)-4-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Rh-Catalyzed C–H Amidation of 2-Arylbenzo[d]thiazoles: An Approach to Single Organic Molecule White Light Emitters in the Solid State

  摘要：

  A Rh-catalyzed direct C-H amidation of 2-arylbenzo[d]thiazoles has been developed. The transformation is characterized by its efficiency, external oxidant-free conditions, and the avoidance of a traditional three-step process consisting of nitration, ammoniation, and amidation. Furthermore, several of the prepared molecules exhibit bright white-light emission in the solid state.

  DOI：

  10.1021/acs.orglett.9b00115

文献信息

• Rh-Catalyzed C–H Amidation of 2-Arylbenzo[<i>d</i>]thiazoles: An Approach to Single Organic Molecule White Light Emitters in the Solid State
  作者：Deming Liu、Qiuping Ding、Yang Fu、Zhibin Song、Yiyuan Peng

  DOI：10.1021/acs.orglett.9b00115

  日期：2019.4.19

  A Rh-catalyzed direct C-H amidation of 2-arylbenzo[d]thiazoles has been developed. The transformation is characterized by its efficiency, external oxidant-free conditions, and the avoidance of a traditional three-step process consisting of nitration, ammoniation, and amidation. Furthermore, several of the prepared molecules exhibit bright white-light emission in the solid state.