3-(2'-chloro-4'-trifluoromethylphenoxy)-6-nitrobenzyl tert.-butyl ether | 83522-62-7

• 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: 3-(2'-chloro-4'-trifluoromethylphenoxy)-6-nitrobenzyl tert.-butyl ether
• 英文别名: 2-chloro-1-[3-[(2-methylpropan-2-yl)oxymethyl]-4-nitrophenoxy]-4-(trifluoromethyl)benzene
• CAS: 83522-62-7
• 化学式: C₁₈H₁₇ClF₃NO₄
• 分子量: 403.785
• InChiKey: XEWIOYAPVRDHMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(2'-chloro-4'-trifluoromethylphenoxy)-6-nitrobenzyl alcohol 以 1,2-二氯乙烷 为溶剂， 生成 3-(2'-chloro-4'-trifluoromethylphenoxy)-6-nitrobenzyl tert.-butyl ether
  参考文献：
  名称：

  Substituted diphenyl ethers, herbicides containing these compounds and

  摘要：

  式子为##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，烷基硫醇基，卤代烷基硫醇基，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，乙酰氧基或烷基硫醇基，Y为氢，卤素，氰基或硝基，X为氧，硫，亚磺酰基或磺酰基，A为氢，未取代或取代的烷基##STR2##，并且当X为氧时，也可以是磺酰基##STR3##，当Z.sub.4为烷氧基或烷基硫醇基时，也可以是甲基烷链--(CH.sub.2).sub.m--，通过该链Z.sub.4--CH--X--的基团被结合成环，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，未取代或取代的苯氧基，--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; 含有这些化合物的除草剂。

  公开号：

  US04744812A1

文献信息

• US4744812A
  申请人：——

  公开号：US4744812A

  公开（公告）日：1988-05-17
• 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.

  式子为##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，烷基硫醇基，卤代烷基硫醇基，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，乙酰氧基或烷基硫醇基，Y为氢，卤素，氰基或硝基，X为氧，硫，亚磺酰基或磺酰基，A为氢，未取代或取代的烷基##STR2##，并且当X为氧时，也可以是磺酰基##STR3##，当Z.sub.4为烷氧基或烷基硫醇基时，也可以是甲基烷链--(CH.sub.2).sub.m--，通过该链Z.sub.4--CH--X--的基团被结合成环，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，未取代或取代的苯氧基，--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; 含有这些化合物的除草剂。