[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-fluoro-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-one | 333994-76-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-fluoro-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-one
• 英文别名: 2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-fluoro-5,6-dihydrocyclopenta[c]pyrazol-4-one
• CAS: 333994-76-6
• 化学式: C₁₃H₆Cl₂F₄N₂O
• 分子量: 353.103
• InChiKey: LJJDVRIWWXGNQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-fluoro-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium tert-butylate 作用下， 以 乙醚 为溶剂， 生成 2-(2,6-Dichloro-4-trifluoromethyl-phenyl)-5-fluoro-4-methoxy-4-methyl-2,4,5,6-tetrahydro-cyclopentapyrazole
  参考文献：
  名称：

  Synthesis and insecticidal activity of fluorinated 2-(2,6-dichloro-4-trifluoromethylphenyl)-2,4,5,6-tetrahydrocyclopentapyrazoles

  摘要：

  A number of fluorinated 1-aryl-tetrahydrocyclopentapyrazoles were synthesized and their insecticidal activity was evaluated. Some of the fluorinated compounds had significant insecticidal properties. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.012
• 作为产物：
  描述：

  2-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-trimethylsilanyloxy-2,6-dihydro-cyclopentapyrazole 在 Selectfluor 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 [2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-fluoro-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-one
  参考文献：
  名称：

  Synthesis and insecticidal activity of fluorinated 2-(2,6-dichloro-4-trifluoromethylphenyl)-2,4,5,6-tetrahydrocyclopentapyrazoles

  摘要：

  A number of fluorinated 1-aryl-tetrahydrocyclopentapyrazoles were synthesized and their insecticidal activity was evaluated. Some of the fluorinated compounds had significant insecticidal properties. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.012

文献信息

• US6545033B1
  申请人：——

  公开号：US6545033B1

  公开（公告）日：2003-04-08
• [EN] FUSED 1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-PYRAZOLES, THE SYNTHESIS THEREOF AND THE USE THEREOF AS PESTICIDES<br/>[FR] 1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-PYRAZOLES FUSIONNES, LEUR SYNTHESE ET UTILISATION EN TANT QUE PESTICIDES
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2001025241A2

  公开（公告）日：2001-04-12

  The present invention is directed to novel pyrazole derivatives and their use as pesticidal agents. The pyrazole derivatives have Formula (I) or a salt thereof, where R1 is amino, hydrogen, alkyl, hydroxy, halo, alkoxy, alkylamino, dialkylamino, alkylthio, alkylsulfinyl, alkylsulfonyl, trifluoroalkylsulfinyl, trifluoroalkylsulfonyl, hydroxy, amino, trifluoromethyl, acetylamino, -OSO¿2R?2, -OS(O)R2, -OC(O)R2, -OC(O)NHR2, or -NHC(O)NHR2 where R2 is C¿1-4? alkyl or optionally substituted aryl; X, Y and Z are each independently (CH)n, (CR?3R4)¿n,S, S(O), or SO2, wherein n is 1-2, R?3 and R4¿ are defined herein; Q is N or C-R6, wherein R6 is fluoro, chloro, bromo, or iodo; R5 is halo, C¿1?-C6alkyl, C1-C4alkenyl, C1-C4alkoxy, C1-C4alkylamino, C1-C4dialkylamino, C1-C4alkylthio, C1-C4alkylsulfinyl, C1-C4alkylsulfonyl, C1-C4trifluoroalkylsufinyl, C1-C4trifluoroalkylsulfonyl, hydroxy, amino, or trifluoromethyl; and with the proviso that only one of X, Y and Z can be S, S(O) or SO2.
• Synthesis and insecticidal activity of fluorinated 2-(2,6-dichloro-4-trifluoromethylphenyl)-2,4,5,6-tetrahydrocyclopentapyrazoles
  作者：Sanath K. Meegalla、Dario Doller、Ruiping Liu、DeYou Sha、YuKai Lee、Richard M. Soll、Nancy Wisnewski、Gary M. Silver、Dale Dhanoa

  DOI：10.1016/j.bmcl.2005.12.012

  日期：2006.3

  A number of fluorinated 1-aryl-tetrahydrocyclopentapyrazoles were synthesized and their insecticidal activity was evaluated. Some of the fluorinated compounds had significant insecticidal properties. (C) 2005 Elsevier Ltd. All rights reserved.