4-(trifluoromethyl)phenylcarbamayl fluoride | 54041-82-6

• 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: 4-(trifluoromethyl)phenylcarbamayl fluoride
• 英文别名: para-(trifluoromethyl)benzene carbamoyl fluoride；4-(trifluoromethyl)phenylcarbamoyl fluoride；[4-(Trifluoromethyl)phenyl]carbamyl fluoride；N-[4-(trifluoromethyl)phenyl]carbamoyl fluoride
• CAS: 54041-82-6
• 化学式: C₈H₅F₄NO
• 分子量: 207.127
• InChiKey: YRDSTBRXHALWFY-UHFFFAOYSA-N

物化性质

• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(trifluoromethyl)phenylcarbamayl fluoride 以 氯苯 为溶剂， 反应 2.0h， 以88%的产率得到4-三氟甲基苯基异氰酸酯
  参考文献：
  名称：

  Syntheses of isocyanates via amines and carbonyl fluoride

  摘要：

  Isocyanates are widely used in many different areas, but the most common synthesis route-phosgene route cannot fit the more and more rigorous restriction of safety and environment. Here, a facile synthesis method of isocyanates via amines and carbonyl fluoride is proven feasibly by expanding its applications to the syntheses of nine different isocyanates. And two differences with the phosgene route are proposed. The reaction could occur under milder conditions and afford isocyanates in good yields, especially for the isocyanates containing electron withdrawing groups. It is appealing for industrial application. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2015.05.007
• 作为产物：
  描述：

  对三氟甲基苯胺 、 氟光气 以 氯苯 为溶剂， 反应 3.0h， 以95%的产率得到4-(trifluoromethyl)phenylcarbamayl fluoride
  参考文献：
  名称：

  Syntheses of isocyanates via amines and carbonyl fluoride

  摘要：

  Isocyanates are widely used in many different areas, but the most common synthesis route-phosgene route cannot fit the more and more rigorous restriction of safety and environment. Here, a facile synthesis method of isocyanates via amines and carbonyl fluoride is proven feasibly by expanding its applications to the syntheses of nine different isocyanates. And two differences with the phosgene route are proposed. The reaction could occur under milder conditions and afford isocyanates in good yields, especially for the isocyanates containing electron withdrawing groups. It is appealing for industrial application. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2015.05.007

文献信息

• Arthropodicidal tetrahydrobenzopyranopyrazoles
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0386892A3

  公开（公告）日：1990-11-28

  This invention concerns substituted tetrahydrobenzopyranopyrazoles of the formula wherein R1 to R5 are substituents, or Ri, R2 and R5 may independently be hydrogen; intermediates thereto, agricultural compositions containing the tetrahydrobenzopyranopyrazoles and a method for using them to control arthropods in agronomic and nonagronomic environments. Also disclosed is a process for preparing the tetrahydrobenzopyranopyrazoles by cyclization of phosphorus-containing starting reactants in the presence of a halogenating agent and base.

  这项发明涉及代替的四氢苯并吡喃吡唑的化合物，其化学式为其中R1至R5为取代基，或R1、R2和R5可以独立地是氢；以及中间体，含有这些四氢苯并吡喃吡唑的农业组合物，以及使用它们来控制农业和非农业环境中的节肢动物的方法。还公开了一种通过在卤化剂和碱存在下环化含磷起始反应物来制备四氢苯并吡喃吡唑的方法。
• Organic base hydrogenofluorosulphonates, their use in releasing organic bases from their fluorohydrate, method of preparation thereof, compound containing them
  申请人：Rhodia Chimie

  公开号：US06388126B1

  公开（公告）日：2002-05-14

  The invention features the use of flourosulphonates to release the organic bases from their fluorohydrate. This use is characterised in that a hydrogenofluorosulphonate of an organic base is formed and in that the hydrofuoric acid which is associated with the said base or with one of its precursors is separated therefrom. The invention is useful in organic synthesis applications.

  该发明特点是使用氟磺酸盐来释放有机碱从它们的氟水合物中。该使用特征在于形成有机碱的氢氟磺酸盐，并将与所述碱或其前体之一相关联的氢氟酸与之分离。该发明适用于有机合成应用。
• Method for using a carbamoyl fluoride as fluorinating agent
  申请人：——

  公开号：US20040049069A1

  公开（公告）日：2004-03-11

  The invention concerns a method for using a carbamoyl fluoride as fluorinating agent. Said method consists in treating a derivative bearing a halogen-containing carbon, with a carbamoyl fluoride at a temperature not less than 70 ° C. and in maintaining the ratio between the sum of hydrofluoric acid (HF) and carbamoyl fluoride as well as between the sum of exchangeable halogen atoms, isocyanate functions and carbamoyl fluoride [(HF+carbamoyl fluoride)/(exchangeable halogen+isocyanate+carbamoyl fluoride)] at a value not more than 1.2; then in carrying out a catalysis process with tin, antimony and/or titanium salt. The invention is applicable to synthesis of fluorinated derivatives.

  本发明涉及一种使用氨基甲酰氟作为氟化试剂的方法。该方法包括在不低于70℃的温度下，用氨基甲酰氟处理含有卤素碳的衍生物，并保持氢氟酸(HF)和氨基甲酰氟的总和以及可交换卤素原子、异氰酸酯功能和氨基甲酰氟的总和之间的比率(HF+氨基甲酰氟)/(可交换卤素+异氰酸酯功能+氨基甲酰氟)不超过1.2；然后进行锡、锑和/或钛盐的催化过程。本发明适用于合成氟化衍生物。
• Method for the preparation of benzenamines
  申请人：Occidental Chemical Corporation

  公开号：US04481370A1

  公开（公告）日：1984-11-06

  A method for the preparation of aromatic amines comprises reacting hydrogen fluoride with a phenyl carbamic fluoride.

  一种制备芳香胺的方法，包括将氢氟酸与苯基氨基甲酸氟反应。
• ARTHROPODICIDAL TETRAHYDROBENZOPYRANOPYRAZOLES
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0463090A1

  公开（公告）日：1992-01-02