4-chloro-2-(1-methoxycarbonyl-ethoxy)-benzoic acid methyl ester | 131210-59-8

• 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: 4-chloro-2-(1-methoxycarbonyl-ethoxy)-benzoic acid methyl ester
• 英文别名: 4-Chloro-2-(2-methoxy-1-methyl-2-oxoethoxy)-benzoic acid, methyl ester；4-Chloro-2-(2-methoxy-1-methyl-2-oxoethoxy)-benzoic acid,methyl ester；4-Chloro-2-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid, methyl ester；methyl 4-chloro-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
• CAS: 131210-59-8
• 化学式: C₁₂H₁₃ClO₅
• 分子量: 272.685
• InChiKey: LRNJDEQBCNOXKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-chloro-2-(1-methoxycarbonyl-ethoxy)-benzoic acid methyl ester 在 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以7%的产率得到6-chloro-2-methyl-benzofuran-3-one
  参考文献：
  名称：

  Hammet Constants Effects in Microwave Cascade Etherification-Cyclization-Krapcho Reaction to Access [2,3]-Dihydrobenzofuran-3-ones from Salicylic Derivatives

  摘要：

  Two methods were evaluated for the synthesis of substituted [2,3]-dihydro-2-methyl-benzofuran-3-ones from corresponding salicylate esters under microwave irradiation. A two-step sequence via ether intermediates was convenient for various substituted salicylate derivatives, while the second strategy involving a one-pot procedure was efficient for electron-donating substituted salicylates. Results allowed correlation of the Hammett constants effects in the intramolecular cyclization of O-ethoxycarbonyl ether of salicylic esters.

  DOI：

  10.1080/00397911.2010.533806
• 作为产物：
  描述：

  3-溴丙酸甲酯 、 4-氯-2-羟基苯甲酸甲酯 在 potassium carbonate 作用下， 以 N-甲基乙酰胺 为溶剂， 生成 4-chloro-2-(1-methoxycarbonyl-ethoxy)-benzoic acid methyl ester
  参考文献：
  名称：

  Substituted semicarbazone arthropodicides

  摘要：

  某些取代的半胱氨酮，包括其所有的几何和立体异构体，农业组合物以及它们作为节肢动物杀虫剂的用途。

  公开号：

  US05182303A1

文献信息

• Substituted semicarbazone arthropodicieds
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US05428027A1

  公开（公告）日：1995-06-27

  Certain substituted semicarbazones, including all geometric and stereoisomers thereof, agricultural compositions containing them and their use as arthropodicides.

  某些取代的半胱氨酮，包括其所有几何和立体异构体，以及包含它们的农业组合物和它们作为节肢动物杀虫剂的用途。
• Hammet Constants Effects in Microwave Cascade Etherification-Cyclization-Krapcho Reaction to Access [2,3]-Dihydrobenzofuran-3-ones from Salicylic Derivatives
  作者：Daniel Farran、Philippe Bertrand

  DOI：10.1080/00397911.2010.533806

  日期：2012.4.1

  Two methods were evaluated for the synthesis of substituted [2,3]-dihydro-2-methyl-benzofuran-3-ones from corresponding salicylate esters under microwave irradiation. A two-step sequence via ether intermediates was convenient for various substituted salicylate derivatives, while the second strategy involving a one-pot procedure was efficient for electron-donating substituted salicylates. Results allowed correlation of the Hammett constants effects in the intramolecular cyclization of O-ethoxycarbonyl ether of salicylic esters.
• Substituted semicarbazone arthropodicides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US05182303A1

  公开（公告）日：1993-01-26

  Certain substituted semicarbazones, including all geometric and stereoisomers thereof, agricultural compositions containing them and their use as arthropodicides.

  某些取代的半胱氨酮，包括其所有的几何和立体异构体，农业组合物以及它们作为节肢动物杀虫剂的用途。