1-(3,5-Dichloro-phenyl)-3-ethylsulfanyl-pyrrolidine-2,5-dione | 32809-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(3,5-Dichloro-phenyl)-3-ethylsulfanyl-pyrrolidine-2,5-dione
• 英文别名: 1-(3,5-Dichlorophenyl)-3-ethylsulfanylpyrrolidine-2,5-dione
• CAS: 32809-01-1
• 化学式: C₁₂H₁₁Cl₂NO₂S
• 分子量: 304.197
• InChiKey: ORWCPBNLXQBGLF-UHFFFAOYSA-N

物化性质

• 沸点：
  546.0±50.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,5-Dichloro-phenyl)-3-ethylsulfanyl-pyrrolidine-2,5-dione 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 生成 1-(3,5-Dichloro-phenyl)-3-ethanesulfonyl-pyrrolidine-2,5-dione
  参考文献：
  名称：

  Quantitative Structure-activity Relationships of Antifungal 1-(3,5-Dichlorophenyl)-2,5-pyrrolidinediones and 3-(3,5-Dichlorophenyl)-2,4-oxazolidinediones

  摘要：

  The antifungal activity of 22 derivatives of 1-(3,5-dichlorophenyl)-2,5-pyrrolidinedione and 6 derivatives of 3-(3,5-dichlorophenyl)-2,4-oxazolidinedione, having various substituents on the imido rings, against Botrytis cinerea was determined by the agar medium dilution method. The structure-activity relationships were analyzed using the physicochemical parameters of the molecules: such as the hydrophobic log P, the electronic σ*, and the steric Esc values with the multiple regression technique. Only the hydrophobic effect is significant in determining the activity variations of both series of compounds. Furthermore, the structure-activity relationships of these two series of compounds are represented by an identical equation, having only the hydrophobic term as a variable.

  DOI：

  10.1080/00021369.1982.10865517

文献信息

• US4009278A
  申请人：——

  公开号：US4009278A

  公开（公告）日：1977-02-22