O-methyl [(2-(3-trifluoromethylphenoxy)acetoxy)(2,4-dichlorophenyl)methyl]methylphosphinate | 904702-76-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: O-methyl [(2-(3-trifluoromethylphenoxy)acetoxy)(2,4-dichlorophenyl)methyl]methylphosphinate
• 英文别名: [(2,4-Dichlorophenyl)-[methoxy(methyl)phosphoryl]methyl] 2-[3-(trifluoromethyl)phenoxy]acetate；[(2,4-dichlorophenyl)-[methoxy(methyl)phosphoryl]methyl] 2-[3-(trifluoromethyl)phenoxy]acetate
• CAS: 904702-76-7
• 化学式: C₁₈H₁₆Cl₂F₃O₅P
• 分子量: 471.197
• InChiKey: FNMVFNWBKPHXGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  O-methyl [(2-(3-trifluoromethylphenoxy)acetoxy)(2,4-dichlorophenyl)methyl]methylphosphinate 在 sodium iodide 作用下， 以 丙酮 为溶剂， 以76%的产率得到sodium ((2,4-dichlorophenyl)(2-(3-(trifluoromethyl)phenoxy)acetoxy)methyl)(methyl)phosphinate
  参考文献：
  名称：

  Synthesis and Herbicidal Activities of Sodium Methyl(α-(Substituted Phenoxyacetoxy)Alkyl)Phosphinates

  摘要：

  A series of sodium methyl(alpha-(substituted phenoxyacetoxy)alkyl)phosphinates was designed and synthesized. Their structures were confirmed by IR, H-1 NMR and elemental analysis, and some of them were further confirmed by MS. The results of bioassay showed that most of title compounds exhibited moderate to good herbicidal activities against the root of barnyard grass and rape at 10 similar to 100mg/L.

  DOI：

  10.1080/10426507.2014.974092
• 作为产物：
  描述：

  (3-三氟甲基苯氧基)乙酸乙酯 在 氯化亚砜 、 三乙胺 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 生成 O-methyl [(2-(3-trifluoromethylphenoxy)acetoxy)(2,4-dichlorophenyl)methyl]methylphosphinate
  参考文献：
  名称：

  Synthesis and Herbicidal Activity of [(Substituted Phenoxyacetoxy) (Substituted Phenyl)Methyl](Methyl) Phosphinates Containing Fluorine

  摘要：

  A series of [(substituted phenoxyacetoxy)(substituted phenyl)methyl](methyl)phos- phinates containing fluorine were designed and synthesized. All the synthesized compounds were identified by elemental analysis, IR, H-1 NMR, mass spectrometry. O-methyl [(2-fluorophenoxyacetoxy)(2,4-dichlorophenyl)methyl](methyl)phosphinate was further analyzed by X-ray single-crystal diffraction. Their herbicidal activity against a set of weed species was examined. Some of the compounds showed potential herbicidal activity, which provided some indications for further studies on structure modification. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

  DOI：

  10.1080/10426507.2012.710680