2-chloroethyltrimethylammonium (4-chloro-2-methylphenoxy)acetate | 1082249-37-3

• 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: 2-chloroethyltrimethylammonium (4-chloro-2-methylphenoxy)acetate
• 英文别名: 2-Chloroethyl trimethylammonium 4-chloro-2-methylphenoxyacetate；2-chloroethyl(trimethyl)azanium;2-(4-chloro-2-methylphenoxy)acetate
• CAS: 1082249-37-3
• 化学式: C₅H₁₃ClN*C₉H₈ClO₃
• 分子量: 322.232
• InChiKey: SJEVIGVKVNMYCO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloroethyltrimethylammonium (4-chloro-2-methylphenoxy)acetate 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 以96%的产率得到trimethylvinylammonium (4-chloro-2-methylphenoxy)acetate
  参考文献：
  名称：

  Herbicidal ionic liquid with dual-function

  摘要：

  Herbicidal ionic liquid with dual functions has been synthesized and characterized (properties, chemical stability and biological activity). 2-Chloroethyltrimethylammonium (4-chloro-2-methylphenoxy)acetate prepared in an alkaline environment undergoes the reaction of dehydrochlorination by the E2 mechanism. This may be described as a specific instance of providing third generation ILs with high potential of application, which preserve both pesticidal properties: the herbicidal activity due to their anions and plant growth inhibition effect due to their cations. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.053
• 作为产物：
  描述：

  矮壮素 、 2-甲基-4-氯苯氧乙酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 以96%的产率得到2-chloroethyltrimethylammonium (4-chloro-2-methylphenoxy)acetate
  参考文献：
  名称：

  Ionic liquids with herbicidal anions

  摘要：

  Ionic liquids with herbicidal anions (named herbicidal ionic liquids-HILs) were synthesized and characterized. The combination of two active chemicals as the [cation][anion] form in a single moiety reduced the number of additional chemicals required per application. HILs ([cation][MCPA]) exhibited higher biological activity than currently used salts of MCPA, and involved pesticides of a multidirectional activity ([plant growth regulator][MCPA]). Acute toxicity of HILs could be controlled by appropriate selection of cation type. These salts had chemical and thermal stability, and showed substantially lower water solubility than starting herbicides, thus reducing soil and groundwater mobility. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.016

文献信息

• WO2008/140338
  申请人：——

  公开号：——

  公开（公告）日：——