2-[3-(trifluoromethoxy)phenyl]propanedioyl dichloride | 1447648-75-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[3-(trifluoromethoxy)phenyl]propanedioyl dichloride
• CAS: 1447648-75-0
• 化学式: C₁₀H₅Cl₂F₃O₃
• 分子量: 301.049
• InChiKey: XCSCJRLJAYUEIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-[(2-chloro-5-thiazolyl)methyl]-3-phenyl-2-pyridinamine 、 2-[3-(trifluoromethoxy)phenyl]propanedioyl dichloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以36%的产率得到
  参考文献：
  名称：

  Mesoionic pyrido[1,2- a ]pyrimidinones: Discovery of dicloromezotiaz as a lepidoptera insecticide acting on nicotinic acetylcholine receptors 1,2

  摘要：

  A novel class of mesoionic pyrido[1,2-a]pyrimidinones has been discovered with exceptional insecticidal activity controlling a number of insect species. In this communication, we report the part of the optimization program that led to the identification of dicloromezotiaz as a potent insecticide to control a broad range of lepidoptera. Our efforts in discovery, synthesis, structure-activity relationship elucidation, and biological activity evaluation are also presented. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.01.002
• 作为产物：
  描述：

  diethyl 3-trifluoromethoxyphenylmalonate 在 N,N-二甲基甲酰胺 草酰氯 、 水 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 0.34h， 生成 2-[3-(trifluoromethoxy)phenyl]propanedioyl dichloride
  参考文献：
  名称：

  [EN] MIXTURES OF MESOIONIC PESTICIDES
  [FR] MÉLANGES DE PESTICIDES MÉSO-IONIQUES

  摘要：

  公开号：

  WO2011017351A3

文献信息

• PROCESS AND INTERMIDIATES FOR THE PREPARATION OF CERTAIN MESOIONIC PESTICIDES
  申请人：E. I. DU PONT DE NEMOURS AND COMPANY

  公开号：US20210051958A1

  公开（公告）日：2021-02-25

  The present invention provides a method for preparing a compound of Formula B, Formula C, or Formula D: wherein Q is a 3- to 10-membered ring system containing ring members selected from carbon atoms and up to 4 heteroatoms independently selected from up to 2 O, up to 2 S, and up to 4 N, wherein up to 3 carbon atom ring members are independently selected from C(═O) and C(═S) and such ring system is optionally substituted with up to 5 substituents independently selected from R A ; each R A is independently halogen, hydroxy, SF 5 , C(O)(C 1 -C 8 alkyl), C(O)O(C 1 -C 8 alkyl), N(C 1 -C 8 alkyl)(C 1 -C 8 alkyl), C(O)N(C 1 -C 8 alkyl)(C 1 -C 8 alkyl), C(═S)N(C 1 -C 8 alkyl)(C 1 -C 8 alkyl), SO 2 N(C 1 -C 8 alkyl)(C 1 -C 8 alkyl), OC(O)(C 1 -C 8 alkyl), OC(O)O(C 1 -C 8 alkyl), OC(O)N(C 1 -C 8 alkyl)(C 1 -C 8 alkyl), N(C 1 -C 8 alkyl)C(O)O(C 1 -C 8 alkyl), N(C 1 -C 8 alkyl)C(O)N(C 1 -C 8 alkyl)(C 1 -C 8 alkyl), OSO 2 (C 1 -C 8 alkyl), OSO 2 N(C 1 -C 8 alkyl)(C 1 -C 8 alkyl), N(C 1 -C 8 alkyl)SO 2 (C 1 -C 8 alkyl), or C 1 -C 8 alkyl, C 1 -C 8 haloalkyl, C 2 -C 8 alkenyl, C 2 -C 8 alkynyl, C 3 -C 10 cycloalkyl, C 3 -C 10 halocycloalkyl, C 4 -C 10 alkylcycloalkyl, C 4 -C 10 cycloalkylalkyl, C 6 -C 14 cycloalkylcycloalkyl, C 5 -C 10 alkylcycloalkylalkyl, C 3 -C 8 cycloalkenyl, C 1 -C 8 alkoxy, C 1 -C 8 haloalkoxy, C 3 -C 8 cycloalkoxy, C 3 -C 8 halocycloalkoxy, C 4 -C 10 cycloalkylalkoxy, C 2 -C 8 alkenyloxy, C 2 -C 8 alkynyloxy, C 1 -C 8 alkylthio, C 1 -C 8 alkylsulfinyl, C 1 -C 8 alkylsulfonyl, C 3 -C 8 cycloalkylthio, C 3 -C 8 cycloalkylsulfinyl, C 3 -C 8 cycloalkylsulfonyl, C 4 -C 10 cycloalkylalkylthio, C 4 -C 10 cycloalkylalkylsulfinyl, C 4 -C 10 cycloalkylalkylsulfonyl, C 2 -C 8 alkenylthio, C 2 -C 8 alkenylsulfinyl, C 2 -C 8 alkenylsulfonyl, C 2 -C 8 alkynylthio, C 2 -C 8 alkynylsulfinyl or C 2 -C 8 alkynylsulfonyl; or two R A substituents on adjacent ring atoms are taken together to form a 5- to 7-membered carbocyclic or heterocyclic ring, each ring containing ring members selected from carbon atoms and up to 3 heteroatoms independently selected from up to 2 O, up to 2 S, and up to 3 N, wherein up to 2 carbon atom ring members are independently selected from C(O) and C(═S) and such ring is optionally substituted with up to 3 substituents independently selected from the group consisting of halogen, hydroxy, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, C 2 -C 4 alkenyl, C 2 -C 4 haloalkenyl, C 2 -C 4 alkynyl, C 2 -C 4 haloalkynyl, C 3 -C 7 cycloalkyl, C 3 -C 7 halocycloalkyl, C 4 -C 8 alkylcycloalkyl, C 4 -C 8 haloalkylcycloalkyl, C 4 -C 8 cycloalkylalkyl, C 4 -C 8 halocycloalkylalkyl, C 1 -C 8 alkoxy, C 1 -C 8 haloalkoxy, C 2 -C 8 alkoxycarbonyl, C 2 -C 6 haloalkoxycarbonyl, C 2 -C 6 alkylcarbonyl and C 2 -C 6 haloalkylcarbonyl; each of R 2 and R 3 is independently H, F, C 1 -C 4 alkyl or C 1 -C 4 haloalkyl; and M is an inorganic cation or organic cation.