N-(4-((2-chloroallyl)thio)phenyl)acetamide | 1286546-19-7

• 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-(4-((2-chloroallyl)thio)phenyl)acetamide
• 英文别名: N-[4-(2-chloroprop-2-enylsulfanyl)phenyl]acetamide
• CAS: 1286546-19-7
• 化学式: C₁₁H₁₂ClNOS
• 分子量: 241.741
• InChiKey: WJPNOAYFOKESTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-((2-chloroallyl)thio)phenyl)acetamide 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 20.0h， 生成 2-methylbenzo[b]thiophen-5-amine
  参考文献：
  名称：

  Synthesis, fine structure of 19F NMR and fluorescence of novel amorphous TPA derivatives having perfluorinated cyclopentenyl and benzo[b]thiophene unit

  摘要：

  Three novel triphenylamine (TPA) derivatives having perfluorinated cyclopentenyl and benzo[b]thiophene unit are obtained from 4-bromo-N,N-diphenyl-2-methylbenzo[b]thiophen-5-amine. The new compounds are expected to find their use in thin film devices as charge transport materials and host organic light-emitting materials. It is found that the new compounds show relatively strong fluorescence either in solution or in solid state, and are amorphous due to a special conformation which is elucidated by the fine structure of F-19 NMR. Molecular structure and properties of these compounds is characterized by H-1 NMR, C-13 NMR (broadband decoupled), ESI-HRMS, elemental analysis and thermal analysis (DSC). Fluorescent quantum yield in solution is measured using 9,10-diphenylanthrancene (DPA) as standard fluorescent substance. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.019
• 作为产物：
  描述：

  4-氨基苯硫酚 在 potassium carbonate 、 溶剂黄146 作用下， 以 丙酮 为溶剂， 反应 1.17h， 生成 N-(4-((2-chloroallyl)thio)phenyl)acetamide
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME
  [FR] COMPOSÉS HÉTÉROARYLE EN TANT QU'INHIBITEURS DE LA VOIE DE NÉCROSE PROGRAMMÉE, COMPOSITION ET PROCÉDÉ FAISANT APPEL À CEUX-CI

  摘要：

  本公开提供了式（I）的杂环芳基化合物，其制备方法，含有它们的药物组合物，以及它们在治疗由程序性坏死途径引起或相关的疾病和紊乱中的应用。

  公开号：

  WO2021138694A1

文献信息

• [EN] HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME<br/>[FR] COMPOSÉS HÉTÉROARYLE EN TANT QU'INHIBITEURS DE LA VOIE DE NÉCROSE PROGRAMMÉE, COMPOSITION ET PROCÉDÉ FAISANT APPEL À CEUX-CI
  申请人：ZHANG XIAOHU

  公开号：WO2021138694A1

  公开（公告）日：2021-07-08

  The present disclosure provides heteroaryl compounds of Formula (I), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from or related to the programmed necrosis pathway.

  本公开提供了式（I）的杂环芳基化合物，其制备方法，含有它们的药物组合物，以及它们在治疗由程序性坏死途径引起或相关的疾病和紊乱中的应用。
• Synthesis, fine structure of 19F NMR and fluorescence of novel amorphous TPA derivatives having perfluorinated cyclopentenyl and benzo[b]thiophene unit
  作者：Bian-Peng Wu、Mei-Li Pang、Ting-Feng Tan、Ji-ben Meng

  DOI：10.1016/j.saa.2013.01.019

  日期：2013.4

  Three novel triphenylamine (TPA) derivatives having perfluorinated cyclopentenyl and benzo[b]thiophene unit are obtained from 4-bromo-N,N-diphenyl-2-methylbenzo[b]thiophen-5-amine. The new compounds are expected to find their use in thin film devices as charge transport materials and host organic light-emitting materials. It is found that the new compounds show relatively strong fluorescence either in solution or in solid state, and are amorphous due to a special conformation which is elucidated by the fine structure of F-19 NMR. Molecular structure and properties of these compounds is characterized by H-1 NMR, C-13 NMR (broadband decoupled), ESI-HRMS, elemental analysis and thermal analysis (DSC). Fluorescent quantum yield in solution is measured using 9,10-diphenylanthrancene (DPA) as standard fluorescent substance. (c) 2013 Elsevier B.V. All rights reserved.