mono 2,4-dinitrophenyl ether of hydroquinone | 71078-45-0

• 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: mono 2,4-dinitrophenyl ether of hydroquinone
• 英文别名: O-(2.4-dinitro-phenyl)-hydroquinone；(2.4-Dinitro-phenyl)-(4-hydroxy-phenyl)-aether；O-(2.4-Dinitro-phenyl)-hydrochinon；4-Hydroxy-1-(2.4-dinitro-phenoxy)-benzol；4-(2',4'-dinitrophenoxy)phenol；(2,4-Dinitro-phenyl)-(4-hydroxy-phenyl)-aether；4-(2,4-Dinitrophenoxy)phenol
• CAS: 71078-45-0
• 化学式: C₁₂H₈N₂O₆
• 分子量: 276.205
• InChiKey: JKVHAGHCDVFZMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  mono 2,4-dinitrophenyl ether of hydroquinone 、 N-(2-氯乙基)吡咯烷盐酸盐 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 生成 1-(2-(4-(2,4-dinitrophenoxy)phenoxy)ethyl)pyrrolidine
  参考文献：
  名称：

  Discovery of Dual Target Inhibitors against Cyclooxygenases and Leukotriene A₄ Hydrolyase

  摘要：

  Dual target inhibitors against COX-2. and LTA(4)H were designed by adding functional groups from a marketed COX-2 inhibitor, Nimesulide, to an existing LTA(4)H inhibitor 1-(2-(4-phenoxyphenoxy) ethyl) pyrrolidine. A series of phenoxyphenyl pyrrolidine compounds were synthesized and tested for their inhibition activities using enzyme assays and human whole blood assay. Introduction of small electron withdrawing groups like NO2 and CF3 in the ortho-position of the terminal phenyl ring was found to change the original single target LTA(4)H inhibitor to dual target LTA(4)H and COX-2 inhibitors. Compound 5a and 5m showed dual LTA(4)H and COX-2 inhibition activities in the enzyme assays and the I-EWE assay with IC50 values in the micromolar to submicromolar range. As their activities in HWB assay were comparable to the two starting single target inhibitors, the two compounds are promising for further studies. The strategy used in the current study may be generally applicable to other dual target drug designs.

  DOI：

  10.1021/jm200063s
• 作为产物：
  描述：

  1-(4-甲氧基苯氧基)-2,4-二硝基苯 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 mono 2,4-dinitrophenyl ether of hydroquinone
  参考文献：
  名称：

  Discovery of Dual Target Inhibitors against Cyclooxygenases and Leukotriene A₄ Hydrolyase

  摘要：

  Dual target inhibitors against COX-2. and LTA(4)H were designed by adding functional groups from a marketed COX-2 inhibitor, Nimesulide, to an existing LTA(4)H inhibitor 1-(2-(4-phenoxyphenoxy) ethyl) pyrrolidine. A series of phenoxyphenyl pyrrolidine compounds were synthesized and tested for their inhibition activities using enzyme assays and human whole blood assay. Introduction of small electron withdrawing groups like NO2 and CF3 in the ortho-position of the terminal phenyl ring was found to change the original single target LTA(4)H inhibitor to dual target LTA(4)H and COX-2 inhibitors. Compound 5a and 5m showed dual LTA(4)H and COX-2 inhibition activities in the enzyme assays and the I-EWE assay with IC50 values in the micromolar to submicromolar range. As their activities in HWB assay were comparable to the two starting single target inhibitors, the two compounds are promising for further studies. The strategy used in the current study may be generally applicable to other dual target drug designs.

  DOI：

  10.1021/jm200063s

文献信息

• Process for producing optically active 2-phenoxypropionic acid
  申请人：Kirin Beer Kabushiki Kaisha

  公开号：US04803301A1

  公开（公告）日：1989-02-07

  There is provided a process for producing an optically active 2-phenoxypropionic acid, which comprises allowing an optically active lactic ester represented by the following formula (I) to react with a phenol represented by the following formula (II) in the copresence of a reagent A and a reagent B defined below to form an optically active 2-phenoxypropionic ester represented by the following formula (III), and liberating an optically active 2-phenoxypropionic acid represented by the following formula (IV) from the optically active 2-phenoxypropionic ester: ##STR1## wherein R.sup.1 represents a group to form a monovalent ester, which can be eliminated from the compound (III) under weakly basic to acidic conditions and R.sup.2 represents a hydrogen atom or 1 to 5 substituents which do not interfere in the reaction between the compounds (I) and (II); a reagent A being at least one compound selected from the group consisting of trialkylphosphine, trialkylphosphite, triarylphosphine and triarylphosphite; and a reagent B being at least one compound selected from the group consisting of dialkylazodicarboxylate and diarylazodicarboxylate.

  提供一种生产光学活性2-苯氧基丙酸的方法，包括允许以下式(I)所代表的光学活性乳酸酯与以下式(II)所代表的苯酚在下述定义的试剂A和试剂B的共存下反应，形成以下式(III)所代表的光学活性2-苯氧基丙酸酯，并从光学活性2-苯氧基丙酸酯中释放出以下式(IV)所代表的光学活性2-苯氧基丙酸：其中R.sup.1代表形成一价酯的基团，可以在弱碱性至酸性条件下从化合物(III)中消除，R.sup.2代表氢原子或在化合物(I)和(II)之间的反应中不干扰的1至5个取代基；试剂A至少是从三烷基膦、三烷基膦酸酯、三芳基膦和三芳基膦酸酯组成的群体中选择的至少一种化合物；试剂B至少是从二烷基偶氮二羧酸酯和二芳基偶氮二羧酸酯组成的群体中选择的至少一种化合物。
• The synthesis of tricyclic naphtho[b] fused frameworks via isoquinolinium salts
  作者：Richard W. Franck、Ram B. Gupta

  DOI：10.1016/s0040-4039(01)80800-5

  日期：——

  The cycloaddition of the enol ethers of cyclic ketones with isoquinolinium salts is the key step in a general preparation of interesting tricyclic naphthalene derivatives.

  环酮的烯醇醚与异喹啉鎓盐的环加成是常规制备有趣的三环萘衍生物的关键步骤。
• Walter, Barell-Festschr. <Basel 1936> S. 266, 271, 273
  作者：Walter

  DOI：——

  日期：——
• LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：Chi Mei Corporation

  公开号：US20150353829A1

  公开（公告）日：2015-12-10

  A liquid crystal alignment agent capable of forming a liquid crystal alignment film having good ultraviolet reliability, the liquid crystal alignment film, and a liquid crystal display element having the same are provided. The liquid crystal alignment agent includes a polymer (A) and a solvent (B). The polymer (A) is obtained by reacting a mixture. The mixture includes a tetracarboxylic dianhydride component (a) and a diamine component (b). The diamine component (b) includes a diamine compound (b-1) represented by formula (1) and a diamine compound (b-2) represented by formula (2).
• US4214086A
  申请人：——

  公开号：US4214086A

  公开（公告）日：1980-07-22