ethyl 3,4,5-trichlorobenzoate | 120530-42-9

• 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: ethyl 3,4,5-trichlorobenzoate
• 英文别名: 3,4,5-trichloro-benzoic acid ethyl ester；3,4,5-Trichlor-benzoesaeure-aethylester
• CAS: 120530-42-9
• 化学式: C₉H₇Cl₃O₂
• mdl: MFCD14704256
• 分子量: 253.512
• InChiKey: ADSPWCLKYZTTFP-UHFFFAOYSA-N

物化性质

• 沸点：
  319.7±37.0 °C(Predicted)
• 密度：
  1.410±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 3,4,5-trichlorobenzoate 、 四苯基溴化膦 在 potassium fluoride 作用下， 以 甲苯 为溶剂， 以57%的产率得到3,5-二氯-4-氟苯甲酸乙酯
  参考文献：
  名称：

  Fluorobenzoates and process for their production

  摘要：

  具有以下结构式的氟苯甲酸酯：其中X是氟原子或氢原子，R是烷基基团。

  公开号：

  US04916253A1
• 作为产物：
  描述：

  金黃大茴香酸 在 盐酸 作用下， 生成 ethyl 3,4,5-trichlorobenzoate
  参考文献：
  名称：

  Salkowski, Justus Liebigs Annalen der Chemie, 1872, vol. 163, p. 28

  摘要：

  DOI：

文献信息

• Heterocyclic pesticidal compounds
  申请人：The Wellcome Foundation

  公开号：US05502073A1

  公开（公告）日：1996-03-26

  Compounds of the formula (I) ##STR1## which contain between 10 and 27 carbon atoms, and wherein m and n are independently selected from 0, 1 and 2; R.sup.2a is hydrogen, methyl, or ethyl; R.sup.2b is acetylene or contains between 3 and 18 carbon atoms and is a group R.sup.7, wherein R.sup.7 is a C.sub.1-13 non-aromatic hydrocarbyl group, optionally substituted by a cyano or C.sub.1-4 carbalkoxy group and/or by one or two hydroxy groups and/or by one to five halo atoms which are the same or different and/or by one to three groups R.sup.8 which are the same or different and each contain one to four hetero atoms, which are the same or different and are chosen from oxygen, sulphur, nitrogen and silicon, 1 to 10 carbon atoms and optionally 1 to 6 fluoro or chloro atoms or R.sup.2b is a 6-membered aromatic ring substituted by cyano and/or by one to three groups R.sup.8 and/or by a group --C.tbd.CH, --C.tbd.C-R.sup.7 or C.tbd.C-halo and/or by one to five halo atoms and/or by one to three C.sub.1-4 haloalkyl groups wherein R.sup.7 and R.sup.8 are as hereinbefore defined; R.sup.4 and R.sup.6 are the same or different and are chosen from hydrogen, methyl, trifluoromethyl or cyano; and R.sup.5 is hydrogen or methyl provided that R.sup.2b is not propyl or butyl are described which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the control of pests and method for their preparation are also disclosed.

  化学式（I）##STR1##中含有10至27个碳原子，其中m和n分别选自0、1和2；R.sup.2a为氢、甲基或乙基；R.sup.2b为乙炔或含有3至18个碳原子且为基团R.sup.7，其中R.sup.7为C.sub.1-13非芳香烃基团，可选择地被氰基或C.sub.1-4羰基烷氧基团取代和/或被一个或两个羟基取代和/或被一个到五个相同或不同的卤原子取代和/或被一个到三个相同或不同的基团R.sup.8取代，每个基团R.sup.8含有一个到四个相同或不同的杂原子，这些杂原子选自氧、硫、氮和硅，1至10个碳原子和可选择地1至6个氟或氯原子，或R.sup.2b为被氰基取代的6元芳环和/或被一个到三个基团R.sup.8取代和/或为基团--C.tbd.CH、--C.tbd.C-R.sup.7或C.tbd.C-卤基取代和/或被一个到五个卤原子取代和/或被一个到三个C.sub.1-4卤代烷基团取代，其中R.sup.7和R.sup.8如前所定义；R.sup.4和R.sup.6相同或不同，选自氢、甲基、三氟甲基或氰基；R.sup.5为氢或甲基，前提是R.sup.2b不是丙基或丁基，描述了具有杀虫活性的化合物，特别是对节肢动物害虫。还公开了含有化合物（I）的杀虫配方，其在害虫控制中的使用以及其制备方法。
• A convenient synthesis of fluorobenzoic acid esters via direct halogen exchange
  作者：Yasuo Yoshida、Osamu Furusawa、Yoshikazu Kimura

  DOI：10.1016/s0022-1139(00)82349-0

  日期：1991.7

  The reaction of chlorobenzoic acid esters with potassium fluoride in the presence of thermally stable phase-transfer catalysts was investigated. The yields of fluorinated products strongly depended on the structure of the substrates employed.

  研究了在热稳定的相转移催化剂存在下氯苯甲酸酯与氟化钾的反应。氟化产物的产率在很大程度上取决于所用基材的结构。
• Novel heterocyclic pesticidal compounds
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0294229A2

  公开（公告）日：1988-12-07

  Compounds of the formula (I) which contain between 10 and 27 carbon atoms, and wherein m and n are independently selected from 0, 1 and 2; R2a is hydrogen, methyl, or ethyl; R2b is acetylene or contains between 3 and 18 carbon atoms and is a group R7, wherein R7 is a C1-13 non-aromatic hydrocarbyl group, optionally substituted by a cyano or Ci-4 carbalkoxy group and/or by one or two hydroxy groups and/or by one to five halo atoms which are the same or different and/or by one to three groups R8 which are the same or different and each contain one to four hetero atoms, which are the same or different and are chosen from oxygen, sulphur, nitrogen and silicon, 1 to 10 carbon atoms and optionally 1 to 6 fluoro or chloro atoms or R2b is a 6-membered aromatic ring substituted by cyano and/or by one to three groups R8 and/or by a group -C≡CH, -C≡C-R7 or C≡C-halo and/or by one to five halo atoms and/or by one to three Ci-4 haloalkyl groups wherein R7 and R8 are as hereinbefore defined; R4 and R6 are the same or different and are chosen from hydrogen, methyl, trifluoromethyl or cyano; and R5 is hydrogen or methyl provided that R2b is not propyl or butyl are described which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the corttrol of pests and method for their preparation are also disclosed,

  式 (I) 的化合物 其中 m 和 n 独立地选自 0、1 和 2； R2a 是氢、甲基或乙基；R2b 是炔基或含有 3 至 18 个碳原子且是基团 R7，其中 R7 是 C1-13 非芳香族烃基，任选被氰基或 Ci-4 碳烷氧基和/或一个或两个羟基和/或一至五个相同或不同的卤原子和/或一至三个相同或不同且各含有一至四个杂原子的基团 R8 取代、或 R2b 是被氰基和/或被 1 至 3 个基团 R8 和/或被基团-C≡CH、-C≡C-R7 或 C≡C-halo 和/或被 1 至 5 个卤原子和/或被 1 至 3 个 Ci-4 卤烷基取代的 6 元芳香环，其中 R7 和 R8 如前定义；R4和R6相同或不同，选自氢、甲基、三氟甲基或氰基；R5为氢或甲基，但R2b不是丙基或丁基。还公开了含有式（I）化合物的杀虫制剂、其在防治害虫中的用途及其制备方法、
• YOSHIDA, YASUO
  作者：YOSHIDA, YASUO

  DOI：——

  日期：——
• US4916253A
  申请人：——

  公开号：US4916253A

  公开（公告）日：1990-04-10