2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-one | 333994-68-6

• 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-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-one
• 英文别名: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-5H-cyclopenta[c]pyrazol-4-one
• CAS: 333994-68-6
• 化学式: C₁₃H₅Cl₂F₅N₂O
• 分子量: 371.094
• InChiKey: KTXIXBQDXZGZKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 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：
  7

反应信息

• 作为反应物：
  描述：

  2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-one 在 sodium tetrahydroborate 作用下， 以 乙醚 为溶剂， 生成 2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
  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]-6,6-difluoro-2,4,5,6-tetrahydrocyclopenta[c]pyrazole 在 chromium(VI) oxide 、 溶剂黄146 作用下， 以70%的产率得到2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-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

• Fused 1-(2,6-dichloro-4-trifluoromethylphenyl)-pyrazoles, the synthesis thereof and the use thereof as pesticides
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06545033B1

  公开（公告）日：2003-04-08

  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, —OSO2R2, —OS(O)R2, —OC(O)R2, —OC(O)NHR2, or —NHC(O)NHR2 where R2 is C1-4 alkyl or optionally substituted aryl; X, Y and Z are each independently (CH)n, (CR3R4)n, S, S(O), or SO2, wherein n is 1-2, R3 and R4 are defined herein; Q is N or C—R6, wherein R6 is fluoro, chloro, bromo, or iodo; R5 is halo, C1-C6 alkyl, C1-C4 alkenyl, C1-C4 alkoxy, C1-C4 alkylamino, C1-C4 dialkylamino, C1-C4 alkylthio, C1-C4 alkylsulfinyl, C1-C4 alkylsulfonyl, C1-C4 trifluoroalkylsulfinyl, C1-C4 trifluoroalkylsulfonyl, hydroxy, amino, or trifluoromethyl; and with the proviso that only one of X, Y and Z can be S, S(O) or SO2.

  本发明涉及新型吡唑衍生物及其作为杀虫剂的用途。这些吡唑衍生物具有以下化学式I：或其盐，其中R1为氨基、氢、烷基、羟基、卤素、烷氧基、烷基氨基、二烷基氨基、烷基硫醚、烷基亚砜基、烷基砜基、三氟甲基砜基、三氟甲基砜基、羟基、氨基、三氟甲基、乙酰氨基、—OSO2R2、—OS（O）R2、—OC（O）R2、—OC（O）NHR2或—NHC（O）NHR2，其中R2为C1-4烷基或可选择取代的芳基；X、Y和Z分别独立为（CH）n、（CR3R4）n、S、S（O）或SO2，其中n为1-2，R3和R4在此处定义；Q为N或C—R6，其中R6为氟、氯、溴或碘；R5为卤素、C1-C6烷基、C1-C4烯基、C1-C4烷氧基、C1-C4烷基氨基、C1-C4二烷基氨基、C1-C4烷基硫醚、C1-C4烷基亚砜基、C1-C4烷基砜基、C1-C4三氟甲基砜基、C1-C4三氟甲基砜基、羟基、氨基或三氟甲基；并且X、Y和Z中仅有一个可以是S、S（O）或SO2。
• 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.