4,5-dibromo-4-cyclopentene-1,3-dione | 41498-12-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,5-dibromo-4-cyclopentene-1,3-dione
• 英文别名: 4,5-dibromo-cyclopent-4-ene-1,3-dione；4,5-Dibrom-cyclopent-4-en-1,3-dion；1,2-Dichlor-cyclopenten-(1)-dion-(3,5)；1,2-Dibrom-cyclopenten-(1)-dion-(3,5)；4,5-Dibrom-4-cyclopenten-1,3-dion；4,5-Dibromocyclopent-4-ene-1,3-dione
• CAS: 41498-12-8
• 化学式: C₅H₂Br₂O₂
• 分子量: 253.878
• InChiKey: QSAOJLXFMVFXFP-UHFFFAOYSA-N

物化性质

• 熔点：
  157-158 °C(Solv: methanol (67-56-1))
• 沸点：
  257.8±40.0 °C(Predicted)
• 密度：
  2.546±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-dibromo-4-cyclopentene-1,3-dione 在 氯 作用下， 以 四氯化碳 、 乙醚 为溶剂， 生成 2-Chlor-1-anilino-cyclopenten-(1)-dion-(3.5)
  参考文献：
  名称：

  Roedig,A.; Ziegler,H., Chemische Berichte, 1961, vol. 94, p. 1800 - 1813

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-二碘-4-环戊烯-1,3-二酮 在 溴 作用下， 以 氯仿 为溶剂， 生成 4,5-dibromo-4-cyclopentene-1,3-dione
  参考文献：
  名称：

  Roedig,A.; Ziegler,H., Chemische Berichte, 1961, vol. 94, p. 1800 - 1813

  摘要：

  DOI：

文献信息

• Synthesis and Biological Evaluation of New Pyrethroids Having Halogen, Keto, or Nitro Group-Containing Substituents
  作者：Ming-Kuan Chyan、Scott J. Norton

  DOI：10.1021/jf00056a060

  日期：1995.8

  Thirteen pyrethroid esters, most of which contain strong electron-withdrawing groups (e.g., halomethylketo and nitro groups) in the side chain of the cyclopropane acid moiety, have been synthesized. The synthesis involved the reaction of various active methylene compounds with 3-formyl-2,2-dimethylcyclopropanecarboxylic esters of known pyrethroid alcohols. Rather than the usually employed Wittig reaction for these syntheses, the novel pyrethroid acid moieties were prepared by amino acid-catalyzed Knoevenagel condensations under mild conditions. Preliminary toxicity studies of the pyrethroid esters, against several insect and one mite species, were conducted. Two of these compounds had good repellent activity against the twospotted spider mite (Tetranychus urticae) at 100 ppm, and six of them had medium insecticidal activity against either black bean aphid (Aphis fabae) or western potato leafhopper (Empoasca abrupta) at 10 ppm.
• Diels; Reinbeck, Chemische Berichte, 1910, vol. 43, p. 1278
  作者：Diels、Reinbeck

  DOI：——

  日期：——
• Jackson; Flint, American Chemical Journal, 1910, vol. 43, p. 146
  作者：Jackson、Flint

  DOI：——

  日期：——
• Roedig,A.; Ziegler,H., Chemische Berichte, 1961, vol. 94, p. 1800 - 1813
  作者：Roedig,A.、Ziegler,H.

  DOI：——

  日期：——