4-(2-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
• 英文别名: 4-(2-fluorophenyl)-3-methyl-1H-1,2,4-triazol-5-one
• 化学式: C₉H₈FN₃O
• mdl: MFCD03787629
• 分子量: 193.18
• InChiKey: XYDGPRHWFGUMEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] MICROWAVE-ASSISTED SYNTHESIS OF PERFLUOROPHTHALOCYANINE MOLECULES<br/>[FR] SYNTHÈSE ASSISTÉE PAR MICRO-ONDES DE MOLÉCULES DE PERFLUOROPHTHALOCYANINE
  申请人：NEW JERSEY TECH INST

  公开号：WO2009139973A1

  公开（公告）日：2009-11-19

  Advantageous microwave-assisted methods for synthesis of fluorinated phthalocyanines are provided. The microwave-assisted methods offer enhanced yields, substantially eliminate reaction solvents, and facilitate purification relative to conventional synthesis techniques. Typical implementation involve a reaction mixture that includes perfluoro-phthalonitrile that is reacted in a vessel with application of microwave energy for a reaction period sufficient to yield a fluorinated phthalocyanine. The fluorinated phthalocyanines synthesized according to the disclosed microwave-assisted methods have wide ranging applications, e.g., corrosion-related applications, coating-related applications, catalysis, and the production of optical and electronic materials.

  提供了有利的微波辅助合成氟化酞菁的方法。这些微波辅助方法提供了增强产量，基本消除反应溶剂，并相对于传统合成技术便于纯化的优势。典型的实施方式涉及一个反应混合物，其中包括全氟酞菁腈，该混合物在施加微波能量的容器中反应一段足以产生氟化酞菁的时间。根据披露的微波辅助方法合成的氟化酞菁具有广泛的应用，例如与腐蚀相关的应用、涂层相关的应用、催化和光学电子材料的生产。
• Perfluorophthalocyanine Molecules and Methods of Synthesis
  申请人：Gorun Sergiu M.

  公开号：US20110172437A1

  公开（公告）日：2011-07-14

  Advantageous methods for synthesis of fluorinated phthalocyanines are provided. Typical implementation involves a reaction mixture that includes perfluoro compound that is reacted for a reaction period sufficient to yield a fluorinated phthalocyanine of formula F 64 PcM, wherein “Pc” is any phthalocyanine macrocycle and “M” is hydrogen. Novel fluorinated phthalocyanine molecules/compounds are also provided herein, including specifically compounds that include fluorinated phthalocyanines wherein “M” is Cu or V═O. The fluorinated phthalocyanines have wide ranging applications, e.g., corrosion-related applications, coating-related applications, catalysis, and the production of optical and electronic materials.

  本文提供了合成含氟酞菁的有利方法。典型实施涉及反应混合物，其中包括全氟化合物，反应时间足以产生式F64PcM的含氟酞菁，其中“Pc”是任何酞菁大环，而“M”是氢。本文还提供了新型含氟酞菁分子/化合物，包括具体包括含氟酞菁的化合物，其中“M”是Cu或V═O。这些含氟酞菁具有广泛的应用，例如与腐蚀有关的应用，涂层相关的应用，催化和光电材料的生产。
• MICROWAVE-ASSISTED SYNTHESIS OF PERFLUOROPHTHALOCYANINE MOLECULES
  申请人：New Jersey Institute of Technology

  公开号：EP2285907A1

  公开（公告）日：2011-02-23
• PERFLUOROPHTHALOCYANINE MOLECULES AND METHODS FOR SYNTHESIS
  申请人：New Jersey Institute of Technology

  公开号：EP2285909A1

  公开（公告）日：2011-02-23
• Microwave-Assisted Synthesis of Perfluorophthalocyanine Molecules
  申请人：Gorun Sergiu M.

  公开号：US20110168543A1

  公开（公告）日：2011-07-14

  Advantageous microwave-assisted methods for synthesis of fluorinated phthalocyanines are provided. The microwave-assisted methods offer enhanced yields, substantially eliminate reaction solvents, and facilitate purification relative to conventional synthesis techniques. Typical implementation involve a reaction mixture that includes perfluoro-phthalonitrile that is reacted in a vessel with application of microwave energy for a reaction period sufficient to yield a fluorinated phthalocyanine. The fluorinated phthalocyanines synthesized according to the disclosed microwave-assisted methods have wide ranging applications, e.g., corrosion-related applications, coating-related applications, catalysis, and the production of optical and electronic materials.