2-氯-1-(3-甲基苯氧基)-4-(三氟甲基)苯 | 42874-96-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-1-(3-甲基苯氧基)-4-(三氟甲基)苯
• 英文名称: 5-[2-chloro-4-(trifluoromethyl)phenoxy]toluene
• 英文别名: 3-(2-chloro-4-trifluoromethylphenoxy)toluene；3-(2-chloro-α,α,α-trifluoro-4-tolyloxy)toluene；Benzene, 2-Chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)-；2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene
• CAS: 42874-96-4
• 化学式: C₁₄H₁₀ClF₃O
• 分子量: 286.681
• InChiKey: CSXRLIIXUVVUTK-UHFFFAOYSA-N

物化性质

• 沸点：
  286.0±40.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  2-氯-1-(3-甲基苯氧基)-4-(三氟甲基)苯 生成 3-(2'-Chloro-4'-trifluoromethylphenoxy)-benzyl chloride
  参考文献：
  名称：

  PARG, A.;WUERZER, B.;HAMPRECHT, G.

  摘要：

  DOI：
• 作为产物：
  描述：

  potassium m-methylphenoxide 、 3,4-二氯三氟甲苯 生成 2-氯-1-(3-甲基苯氧基)-4-(三氟甲基)苯
  参考文献：
  名称：

  PARG, A.;WUERZER, B.;HAMPRECHT, G.

  摘要：

  DOI：

文献信息

• Process for preparing phenoxybenzoic acids
  申请人：Rohm and Haas Company

  公开号：US04323692A1

  公开（公告）日：1982-04-06

  This process relates to the oxidation of phenoxytoluenes to phenoxybenzoic acids utilizing a hydrogen peroxide activated, bromide promoted cobalt catalyst which can be performed at atmospheric pressure and at moderate temperatures. These phenoxybenzoic acids can then be esterified and selectively nitrated to give the corresponding 2-nitro-5-(substituted)phenoxybenzoic acid esters. Alternatively the acids can be nitrated and then esterified.

  该过程涉及将苯氧甲基甲苯氧化为苯氧基苯甲酸，利用过氧化氢活化、溴化物促进的钴催化剂，在大气压和适中温度下进行。然后，这些苯氧基苯甲酸可以酯化并选择性硝化，得到相应的2-硝基-5-(取代基)苯氧基苯甲酸酯。或者，这些酸可以先硝化，然后再酯化。
• Process of preparation of substituted diphenyl ethers
  申请人：PPG Industries, Inc.

  公开号：US04424393A1

  公开（公告）日：1984-01-03

  This invention relates to a process for preparing herbicidally active substituted diphenylethers. Also, this invention provides novel intermediates useful in the production of said diphenylethers.

  本发明涉及一种制备具有除草活性的取代二苯醚的过程。此外，本发明提供了在生产所述二苯醚中有用的新型中间体。
• Substituted diphenyl ethers, herbicides containing these compounds and
  申请人：BASF Aktiengesellschaft

  公开号：US04744812A1

  公开（公告）日：1988-05-17

  Substituted diphenyl ethers of the formula ##STR1## where Z.sub.1, Z.sub.2 and Z.sub.3 are hydrogen, halogen, nitro, cyano, carboxyl, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylmercapto, haloalkylmercapto, alkylsulfinyl, haloalkylsulfinyl, alkylsulfonyl or haloalkylsulfonyl, Z.sub.4 is hydrogen, cyano, alkyl, alkoxy, acetoxy or alkylmercapto, Y is hydrogen, halogen, cyano or nitro, X is oxygen, sulfur, sulfinyl or sulfonyl, and A is hydrogen, unsubstituted or substituted alkyl ##STR2## and can also be sulfonyl ##STR3## when X is oxygen, and, when Z.sub.4 is alkoxy or alkylmercapto, can also be a methylene chain --(CH.sub.2).sub.m -- by which the radicals Z.sub.4 --CH--X-- are bonded to form a ring, R.sub.1 is hydrogen, methyl, ethyl or n-propyl, R.sub.2 is cyano, methoxy, ethoxy or ##STR4## where B is OH, ONa, O--alkyl, unsubstituted or substituted phenoxy, --NH.sub.2, --NH--alkyl or --N(alkyl).sub.2, n is 1, 2 or 3, R.sub.3 and R.sub.4 are hydrogen, halogen, methyl, nitro, cyano, methoxy, carboxyl, trifluoromethyl or an O-propionic acid methyl ester group, R.sub.5 is methyl, ethyl, propyl, chloromethyl, dichloromethyl, trichloromethyl, methoxymethyl, phenyl, nitro-substituted phenyl, alkyl-substituted phenyl or .alpha.-2,4-dichlorophenoxyethyl, R.sub.6 and R.sub.7 are hydrogen, alkyl, alkoxyalkyl, dihalophenyl, cyclohexyl or methoxy, R.sub.8, R.sub.9 and R.sub.10 are methyl, ethyl, n-propyl or n-butyl, R.sub.11 and R.sub.12 are methoxy, ethoxy, thiomethyl, thioethyl, thio-n-propyl, N,N-dimethylamino or N,N-diethylamino, R.sub.13 is methyl, ethyl, phenyl or trifluoromethyl, R.sub.14 and R.sub.15 are hydrogen, methyl, ethyl, n-propyl, isopropyl, n-butyl, n-hexyl, n-heptyl, methoxy, ethoxy or isopropoxy, and m is 2 or 3; and herbicides containing these compounds.

  公式为##STR1##的取代二苯醚，其中Z.sub.1、Z.sub.2和Z.sub.3为氢、卤素、硝基、氰基、羧基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷硫基、卤代烷硫基、烷基磺酰基、卤代烷基磺酰基、烷基磺酸基或卤代烷基磺酸基，Z.sub.4为氢、氰基、烷基、烷氧基、乙酰氧基或烷基硫基，Y为氢、卤素、氰基或硝基，X为氧、硫、亚砜或磺酰基，A为氢、未取代或取代烷基##STR2##也可以是磺酰基##STR3##当X为氧时，当Z.sub.4为烷氧基或烷基硫基时，也可以是一个亚甲基链--(CH.sub.2).sub.m--，其中基团Z.sub.4--CH--X--通过形成环而结合，R.sub.1为氢、甲基、乙基或正丙基，R.sub.2为氰基、甲氧基、乙氧基或##STR4##其中B为OH、ONa、O-烷基、未取代或取代苯氧基、--NH.sub.2、--NH-烷基或--N(烷基).sub.2，n为1、2或3，R.sub.3和R.sub.4为氢、卤素、甲基、硝基、氰基、甲氧基、羧基、三氟甲基或O-丙酸甲酯基，R.sub.5为甲基、乙基、丙基、氯甲基、二氯甲基、三氯甲基、甲氧甲基、苯基、硝基取代的苯基、烷基取代的苯基或.alpha.-2,4-二氯苯氧乙基，R.sub.6和R.sub.7为氢、烷基、烷氧基烷基、二卤苯基、环己基或甲氧基，R.sub.8、R.sub.9和R.sub.10为甲基、乙基、正丙基或正丁基，R.sub.11和R.sub.12为甲氧基、乙氧基、硫甲基、硫乙基、硫-正丙基、N,N-二甲基氨基或N,N-二乙基氨基，R.sub.13为甲基、乙基、苯基或三氟甲基，R.sub.14和R.sub.15为氢、甲基、乙基、正丙基、异丙基、正丁基、正己基、正庚基、甲氧基、乙氧基或异丙氧基，m为2或3；以及含有这些化合物的除草剂。
• Process for preparing 2-nitro-5-(substituted-phenoxy) benzoic acids and salts thereof
  申请人：RHONE-POULENC AGROCHIMIE

  公开号：EP0022610A1

  公开（公告）日：1981-01-21

  2-Nitro-5-(Substituted-phenoxy) benzoic acids are prepared by (1) reacting an alkali metal salt of m-cresol with substituted-phenylchloride, (2) oxidizing methyl to carboxyl, and (3) nitrating. Optionally, the acid is converted to an aqueous solution of the salt, preferably the sodium salt. Herbicidal compositions comprising an inert carrier and a compound produced by this process.

  2-Nitro-5-(Substituted-phenoxy) benzoic acids 的制备方法是：(1) 间甲酚的碱金属盐与取代苯基氯化物反应，(2) 将甲基氧化为羧基，(3) 硝化。可选择将酸转化为盐的水溶液，最好是钠盐。 除草组合物包括惰性载体和通过该工艺生产的化合物。
• Process for the preparation of diphenylether carboxylic acids
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0034413A1

  公开（公告）日：1981-08-26

  A process forthe preparation of diphenyl ether carboxylic acids of the formula: wherein W is hydrogen, fluorine, chlorine, bromine, iodine, trifluoromethyl or cyano; X is fluorine, chlorine, bromine, iodine or trifluoromethyl; Y is hydrogen, fluorine, chlorine, bromine, iodine or trifluoromethyl; and Z is hydrogen, fluorine, chlorine, bromine or iodine, which comprises oxidising a tolyl ether compound of the formula: wherein W, X, Y and Z have the meanings defined above, with molecular oxygen in the presence of a catalyst comprising a heavy metal compound and bromine or a bromine-containing compound.

  一种制备式中二苯醚羧酸的工艺： 其中 W 是氢、氟、氯、溴、碘、三氟甲基或氰基；X 是氟、氯、溴、碘或三氟甲基；Y 是氢、氟、氯、溴、碘或三氟甲基；Z 是氢、氟、氯、溴或碘，该工艺包括氧化式中的甲苯醚化合物： 其中 W、X、Y 和 Z 具有上述定义的含义，在由重金属化合物和溴或含溴化合物组成的催化剂存在下，用分子氧进行氧化。