4-Chloro-2,5,6-trifluorobenzene-1,3-dicarbonitrile | 1609110-02-2

• 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-Chloro-2,5,6-trifluorobenzene-1,3-dicarbonitrile
• CAS: 1609110-02-2
• 化学式: C₈ClF₃N₂
• 分子量: 216.55
• InChiKey: RUTJNNWLCHZNLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Chloro-2,5,6-trifluorobenzene-1,3-dicarbonitrile 、 2,6-二氯-4-三氟甲基苯胺 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.17h， 以57%的产率得到4-(2,6-dichloro-4-(trifluoromethyl)phenylamino)-2,5,6-trifluoroisophthalonitrile
  参考文献：
  名称：

  Synthesis and fungicidal activity of fluorine-containing chlorothalonil derivatives

  摘要：

  Fourteen new fluorine-containing chlorothalonil derivatives were synthesized by using intermediate derivatization method (IDM) in order to discover novel antifungal compounds for controlling corn rust. The structures of synthesized compounds were confirmed by H-1 NMR, C-13 NMR, F-19 NMR, elemental analysis, HRMS and X-ray. The bioassay results indicated that compound 2,4,5-trichloro-6-(2,6-dichloro-4-[trifluoromethyl]phenylamino)isophthalonitrile (3j, R-n is 2,6-Cl2-4-CF3) had the optimal structure with best fungicidal activity against corn rust (98%, 70% controls) at 25 and 6.25 mg/L concentration, respectively, much better than chlorothalonil and fluazinam, highlighting the importance of trifluoromethyl group on 4-position of benzene ring. The structure-activity relationship of the synthesized compounds was discussed as well. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.01.006

文献信息

• Halogen-containing aromatic compound
  申请人：——

  公开号：US20030018204A1

  公开（公告）日：2003-01-23

  The present invention relates to halogen-containing aromatic compounds and methods thereof. The present invention relates a halogen-containing aromatic acid dianhydride, halogen-containing aromatic tetranitrile compound, halogen-containing m-phenylenediamine compound and fluorine compound, and a method thereof.

  本发明涉及含卤芳香化合物及其制备方法。本发明涉及一种含卤芳香酸二酐、含卤芳香四腈化合物、含卤间苯二胺化合物和氟化合物及其制备方法。
• Process for producing fluorinated dicyanobenzene
  申请人：——

  公开号：US20040030173A1

  公开（公告）日：2004-02-12

  An object of the invention is to provide a process for industrially producing fluorinated dicyanobenzenes using tetrachlorodicyanobenzene as a raw material. According to the present invention, fluorinated dicyanobenzene can be produced in a high yield by allowing tetrachlorodicyanobenzenes to react with a fluorinating agent in the presence of a non-protonic polar solvent in an amount of 0.1 to 3 times by mass based on the tetrachlorodicyanobenzene. Further, the above production can be conducted more efficiently by reacting while disintegrating or removing bulk solid matters.

  本发明的目的是提供一种以四氯二氰基苯为原料工业化生产氟化二氰基苯的工艺。 根据本发明，让四氯二氰基苯在非质子极性溶剂存在下与氟化剂反应，可以高产率生产氟化二氰苯，反应量为四氯二氰苯质量的 0.1 至 3 倍。此外，通过在分解或去除块状固体物质的同时进行反应，可以更有效地进行上述生产。
• PROCESS FOR PRODUCING FLUORINATED DICYANOBENZENE
  申请人：Showa Denko K.K.

  公开号：EP1324977B1

  公开（公告）日：2006-02-01
• US6916959B2
  申请人：——

  公开号：US6916959B2

  公开（公告）日：2005-07-12
• US7132561B2
  申请人：——

  公开号：US7132561B2

  公开（公告）日：2006-11-07