2-(5-氟-2-硝基苯氧基)丙酸乙酯 | 77207-00-2

• 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-(5-氟-2-硝基苯氧基)丙酸乙酯
• 英文名称: ethyl 2-(5-fluoro-2-nitrophenoxy)propionate
• 英文别名: ethyl 2-(5-fluoro-2-nitrophenoxy)propanoate
• CAS: 77207-00-2
• 化学式: C₁₁H₁₂FNO₅
• mdl: MFCD16516174
• 分子量: 257.218
• InChiKey: VFPRKIHTJUWOIU-UHFFFAOYSA-N

物化性质

• 沸点：
  341.0±27.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(5-氟-2-硝基苯氧基)丙酸乙酯 在 硫酸 、 硝酸 、 铁粉 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-fluoro-2-methyl-6-nitro-4H-1,4-benzoxazin-3-one
  参考文献：
  名称：

  通过计算机结构引导优化方法发现有效的噻吩并[2,3-d]嘧啶-2,4-二酮基原卟啉原 IX 氧化酶抑制剂

  摘要：

  除草剂研究的一个关键目标是开发具有改进生物活性的新化合物。原卟啉原 IX 氧化酶 (PPO) 是发现除草剂的重要目标。在这里，我们报告了使用我们之前的先导化合物1的计算机结构引导优化方法，并设计和合成了一系列新的化合物2-6。系统的生物测定发现了一种高效的化合物6g , 1-methyl-3-(2,2,7-trifluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4- dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl)thieno[2,3- d ]pyrimidine-2,4(1 H ,3 H)-二酮，通过出苗后施用以 30-75 g ai/ha 的比率表现出优异且广谱的杂草控制，并且在 75 g ai/ha 的玉米上相对安全。此外，发现6g对烟草PPO (NtPPO)的K i值为2.5 nM，显示出相对于化合物1 ( K i = 7.4 nM)、trifludimoxazin

  DOI：

  10.1021/acs.jafc.1c05665
• 作为产物：
  描述：

  乳酸乙酯 、 2,4-二氟硝基苯 在 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-(5-氟-2-硝基苯氧基)丙酸乙酯
  参考文献：
  名称：

  Preparation of trifluoromethylphenyl nitrophenylethers

  摘要：

  一种制备三氟甲基苯基硝基苯醚的方法，包括将三氟甲基卤代苯与碱在共溶剂体系中处理，得到三氟甲基酚根，可以将其作为游离酚分离出来，或者与适当取代的卤代苯反应，制备二苯醚除草剂或其前体。

  公开号：

  US04259510A1

文献信息

• Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them
  申请人：Bhuniya Debnath

  公开号：US20050113368A1

  公开（公告）日：2005-05-26

  The present invention relates to novel antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic compounds of formula (I) their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, to a process for preparing such compounds. More particularly, the present invention relates to novel alkyl carboxylic acids of the general, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, to a process for preparing such compounds. The present invention also relates to processes for the preparation of the compounds of formula (I), novel intermediates, processes for their preparation, their use in the preparation of the above said compounds and their use as antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic compounds.

  本发明涉及公式（I）的新型抗糖尿病、降脂、抗肥胖和降胆固醇化合物及其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和包含它们的药学上可接受的组合物，以及制备这些化合物的方法。更具体地说，本发明涉及一般的烷基羧酸及其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和包含它们的药学上可接受的组合物，以及制备这些化合物的方法。本发明还涉及公式（I）化合物的制备方法、新型中间体的制备方法、以及它们在制备上述化合物和作为抗糖尿病、降脂、抗肥胖和降胆固醇化合物的用途。
• Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and trifluoromethyl-substituted diphenyl ethers
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0019388A1

  公开（公告）日：1980-11-26

  Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and tri-fluoromethyl-substituted diphenyl ethers. A novel process is provided for the preparation of a substituted phenate (or the corresponding phenol) of the formula: wherein X is halo or trifluoromethyl with the proviso that, when X is halo, X' is trifluoromethyl, X' is hydrogen, halo, trifluoromethyl or (C1-C4) alkyl, and M is the cation of an alkali metal or alkaline earth metal, wherein the process comprises reacting a compound of the formula (wherein X and X' are as above defined) with an alkali metal or alkaline earth metal hydroxide base in a solvent system which is substantially inertto said base and which comprises a polar, aprotic solvent with a dielectric constant in the range of from about 30 to about 70 and a non-nucleophilic hydroxy-containing solvent which increases the solubility of said base in the solvent system whereby a phenate is obtained and, if a phenol is the desired product, reacting the phenate with an acid to form the phenol. The phenates or phenols obtainable by the novel process may be used as intermediates in the preparation of trifluoromethylphenyl nitrophenylether herbicides optionally containing one or two additional ring substituents

  制备三氟甲基取代的苯酚和苯甲酸酯以及用这些苯酚和苯甲酸酯制备硝基和三氟甲基取代的二苯醚。 本发明提供了一种新工艺，用于制备式中的取代苯甲酸酯（或相应的苯酚）： 其中 X 为卤代或三氟甲基，但有以下条件 当 X 为卤素时，X'为三氟甲基、 X'是氢、卤素、三氟甲基或（C1-C4）烷基，以及 M 是碱金属或碱土金属的阳离子、 其中，该工艺包括使以下式子的化合物发生反应 (其中 X 和 X'如上定义）与碱金属或碱土金属氢氧化物碱在溶剂体系中反应，该溶剂体系对所述碱基本上是惰性的，它包括介电常数在约 30 至约 70 范围内的极性烷基溶剂和可增加所述碱在溶剂体系中溶解度的非亲核含羟基溶剂，从而得到苯酸盐，如果苯酚是所需产物，则使苯酸盐与酸反应生成苯酚。 通过新工艺得到的苯酸盐或苯酚可用作中间体，用于制备三氟甲基苯基硝基苯基醚除草剂，该除草剂可选择含有一个或两个额外的环取代基。
• Substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides
  申请人：Monsanto Company

  公开号：EP0295233A2

  公开（公告）日：1988-12-14

  The present invention relates to certain novel substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides.

  本发明涉及某些新型取代的 3-(4-硝基苯氧基)吡唑及其作为除草剂的用途。
• 5-Heterocyclic-substituted oxazolidine haloacetamides
  申请人：MONSANTO COMPANY

  公开号：EP0304409A1

  公开（公告）日：1989-02-22

  The disclosure herein relates to a new family of haloalkyl oxazolidinyl derivatives as antidotal compounds to reduce injury to crop plants by a variety of herbicides. The antidotal compounds are characterized particularly by having heterocyclyl or spiroheterocyclyl radicals attached to the 5-position of haloalkyl oxazolidine compounds and are especially useful as in-can antidotes against injury by acetanilide and thiocarbamate herbicides to corn, sorghum, soybeans, wheat, rice and other crops.

  本文公开了一系列新的卤代烷基噁唑烷基衍生物，这些衍生物作为解毒剂化合物可减少各种除草剂对作物植物的伤害。这些解毒化合物的特点是在卤代烷基噁唑烷化合物的 5 位上连接有杂环基或螺杂环基，特别适用于罐内解毒，以防止乙酰苯胺类和硫代氨基甲酸酯类除草剂对玉米、高粱、大豆、小麦、水稻和其他作物的伤害。
• BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP1436268A1

  公开（公告）日：2004-07-14