2-O-[[4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl] 1-O-(2-methylpropyl) oxalate | 1040762-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-O-[[4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl] 1-O-(2-methylpropyl) oxalate
• CAS: 1040762-36-4
• 化学式: C₁₉H₁₅BrClF₃N₂O₄
• 分子量: 507.691
• InChiKey: DNVCKOGIWFFSMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-bromo-1-(bromomethyl)-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile 、 oxalic acid isobutyl ester 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以19.7%的产率得到2-O-[[4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl] 1-O-(2-methylpropyl) oxalate
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Insecticidal Activity of Novel N-Alkyloxyoxalyl Derivatives of 2-Arylpyrrole

  摘要：

  Two series of novel N-alkyloxyoxalyl derivatives of 2-arylpyrrole were synthesized, and their structures were characterized by (1)H NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction analysis. The insecticidal activities of the new compounds were evaluated. The results of bioassays indicated that some of these title compounds exhibited excellent insecticidal activities, and their insecticidal activities against oriental armyworm, mosquito, and spider mite are comparable to those of the commercialized Chlorfenapyr.

  DOI：

  10.1021/jf801311h

文献信息

• Synthesis, Crystal Structure, and Insecticidal Activity of Novel <i>N</i>-Alkyloxyoxalyl Derivatives of 2-Arylpyrrole
  作者：Yu Zhao、Chunhui Mao、Yongqiang Li、Pengxiang Zhang、Zhiqiang Huang、Fuchun Bi、Runqiu Huang、Qingmin Wang

  DOI：10.1021/jf801311h

  日期：2008.8.1

  Two series of novel N-alkyloxyoxalyl derivatives of 2-arylpyrrole were synthesized, and their structures were characterized by (1)H NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction analysis. The insecticidal activities of the new compounds were evaluated. The results of bioassays indicated that some of these title compounds exhibited excellent insecticidal activities, and their insecticidal activities against oriental armyworm, mosquito, and spider mite are comparable to those of the commercialized Chlorfenapyr.