1-ethylsulfanyl-4-hydroxy-3-mesityl-5,5-dimethyl-1,5-dihydropyrrol-2-one | 306950-89-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-ethylsulfanyl-4-hydroxy-3-mesityl-5,5-dimethyl-1,5-dihydropyrrol-2-one
• 英文别名: 1-Ethylsulfanyl-4-hydroxy-5,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrol-2-one
• CAS: 306950-89-0
• 化学式: C₁₇H₂₃NO₂S
• 分子量: 305.441
• InChiKey: CZFCMMKHXBLDGR-UHFFFAOYSA-N

物化性质

• 熔点：
  142-145 °C
• 沸点：
  433.9±55.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  65.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-ethylsulfanyl-4-hydroxy-3-mesityl-5,5-dimethyl-1,5-dihydropyrrol-2-one 在 吡啶 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 5.75h， 生成 (3-Chloro-2,2-dimethylpropyl) [1-ethylsulfonyl-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 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以84%的产率得到1-ethylsulfanyl-4-hydroxy-3-mesityl-5,5-dimethyl-1,5-dihydropyrrol-2-one
  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