(3-Chloro-2,2-dimethylpropyl) [1-ethylsulfanyl-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] carbonate | 590385-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (3-Chloro-2,2-dimethylpropyl) [1-ethylsulfanyl-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] carbonate
• CAS: 590385-49-2
• 化学式: C₂₃H₃₂ClNO₄S
• 分子量: 454.03
• InChiKey: GBJXHULXAQRHDW-UHFFFAOYSA-N

物化性质

• 沸点：
  548.5±60.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  81.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-Chloro-2,2-dimethylpropyl) [1-ethylsulfanyl-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] carbonate 在 间氯过氧苯甲酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 以16%的产率得到(3-Chloro-2,2-dimethylpropyl) [1-ethylsulfinyl-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] carbonate
  参考文献：
  名称：

  Synthesis and insecticidal activity of novel dihydropyrrole derivatives with N-Sulfanyl, sulfinyl, and sulfonyl moieties

  摘要：

  This paper reports the synthesis and insecticidal activity of a new type of dihydropyrrole derivatives with sulfur moieties such as sulfanyl, sulfinyl, and sulfonyl groups at the I-position. These derivatives exhibited high insecticidal potency against Nilaparvata lugens and Nephotettix cincticeps. Investigation of the structure-activity relationships revealed that the alkoxycarbonyloxy groups at the 4-position tended to increase the systemic insecticidal activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00476-5
• 作为产物：
  描述：

  1-ethylsulfanyl-4-mesityl-2,2-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl methyl carbonate 在 吡啶 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 1.75h， 生成 (3-Chloro-2,2-dimethylpropyl) [1-ethylsulfanyl-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] carbonate
  参考文献：
  名称：

  Synthesis and insecticidal activity of novel dihydropyrrole derivatives with N-Sulfanyl, sulfinyl, and sulfonyl moieties

  摘要：

  This paper reports the synthesis and insecticidal activity of a new type of dihydropyrrole derivatives with sulfur moieties such as sulfanyl, sulfinyl, and sulfonyl groups at the I-position. These derivatives exhibited high insecticidal potency against Nilaparvata lugens and Nephotettix cincticeps. Investigation of the structure-activity relationships revealed that the alkoxycarbonyloxy groups at the 4-position tended to increase the systemic insecticidal activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00476-5