2,6-二硝基苯甲酸甲酯 | 42087-82-1

• 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: 2,6-二硝基苯甲酸甲酯
• 英文名称: methyl 2,6-dinitrobenzoate
• 英文别名: 2,6-dinitro-benzoic acid methyl ester；2,6-Dinitro-benzoesaeure-methylester；2,6-Di-nitro-benzoesaure-methylester；2,6-Dinitrobenzoesaeuremethylester；Methyl-2,6-dinitrobenzoat
• CAS: 42087-82-1
• 化学式: C₈H₆N₂O₆
• 分子量: 226.145
• InChiKey: YZRFTJSIVVNRMI-UHFFFAOYSA-N

物化性质

• 熔点：
  151-151.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  323.0±22.0 °C(Predicted)
• 密度：
  1.497±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,6-二硝基苯甲酸甲酯 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 11.0h， 生成 2-氨基-6-甲氧基苯甲酸甲酯
  参考文献：
  名称：

  Warrener, Ronald N.; Russel, Richard A.; Marcuccio, Sebastian M., Australian Journal of Chemistry, 1980, vol. 33, # 12, p. 2777 - 2779

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二硝基甲苯 在 sodium dichromate 、 硫酸 、 碳酸氢钠 作用下， 以 丙酮 为溶剂， 反应 50.0h， 生成 2,6-二硝基苯甲酸甲酯
  参考文献：
  名称：

  Warrener, Ronald N.; Russel, Richard A.; Marcuccio, Sebastian M., Australian Journal of Chemistry, 1980, vol. 33, # 12, p. 2777 - 2779

  摘要：

  DOI：

文献信息

• Cyano phenylene dioxamic molecules
  申请人：The Upjohn Company

  公开号：US03993679A1

  公开（公告）日：1976-11-23

  Compounds represented below ##SPC1## And pharmaceutical compositions thereof, the compositions including the non-substituted phenylene dioxamates are useful in the prophylactic treatment of sensitized mammals for allergy and all anaphylactic reactions of a reagin or non-reagin mediated nature.

  下面代表的化合物##SPC1##及其制药组合物，其中包括非取代苯二酰氧胺，在对过敏反应和变态反应进行预防性治疗的敏感哺乳动物中是有用的，无论是由抗原或非抗原介导的自然。
• Quinoline derivatives as antiallergy agents. 2. Fused-ring quinaldic acids
  作者：Charles M. Hall、John B. Wright、Herbert G. Johnson、Arlen J. Taylor

  DOI：10.1021/jm00220a022

  日期：1977.10

  containing two or more 4-oxo-1,4-dihydropyridine-2-carboxylic acid units fused to a central aromatic nucleus was synthesized and tested in the rat passive cutaneous anaphylaxis (PCA) assay for potential antiallergy activity. Most of the compounds of this series showed significant activity in the PCA assay. Three of these compounds. 11d, 13f, and 21, were more than 250 times as active as the standard drug, cromolyn

  合成了一系列包含两个或多个与中心芳香核融合的4-氧代-1,4-二氢吡啶-2-羧酸单元的化合物，并在大鼠被动皮肤过敏反应（PCA）分析中测试了其潜在的抗过敏活性。该系列的大多数化合物在PCA分析中显示出显着的活性。这些化合物中的三种。11d，13f和21的活性是标准药物cromolyn钠的250倍以上。讨论了合成和生物活性。
• Derivatives of 4,6 dioxopyrido[3,2-g]quinoline 2,8 dicarboxylic acid
  申请人：The Upjohn Company

  公开号：US03959289A1

  公开（公告）日：1976-05-25

  Novel chemical compounds of the formula: ##SPC1## Wherein R is selected from the group consisting of hydrogen, alkyl from one to three carbon atoms, inclusive, phenyl, alkali metal, or an amine cation; X and Y can be the same or different and are selected from the group consisting of hydrogen, alkyl of from one to six carbon atoms, inclusive, cycloalkyl of 5 or 6 carbon atoms, inclusive, phenyl, hydroxyl, alkoxy having from one to three carbon atoms, inclusive, halogen, trifluoromethyl, cyano, carboxyamide and O C-OQ, ##EQU1## where Q is selected from the group consisting of hydrogen, alkyl from one to three carbon atoms, inclusive, alkali metal, and an amine cation, with the proviso that where R is hydrogen, alkali metal or an amine cation, then Q is the same as R, and where R is phenyl or alkyl from one to three carbon atoms, then Q is phenyl or alkyl from one to three carbon atoms; and Z is selected from the group consisting of hydrogen, alkyl from one to three carbon atoms, inclusive, and phenyl. The compounds are formulated with pharmaceutical carriers for oral or parenteral administration, with insufflation being the preferred method. The compositions are useful in the prophylactic treatment of sensitized humans and mammals for allergy and all anaphylactic reactions of a reagin or non-reagin mediated nature.

  新化合物的化学式为：##SPC1## 其中R从氢、一至三个碳原子的烷基、苯基、碱金属或胺阳离子中选择；X和Y可以相同也可以不同，选择自氢、一至六个碳原子的烷基、五或六个碳原子的环烷基、苯基、羟基、一至三个碳原子的烷氧基、卤素、三氟甲基、氰基、羧酰胺和O C-OQ的群中，##EQU1## 其中Q从氢、一至三个碳原子的烷基、碱金属和胺阳离子中选择，但R为氢、碱金属或胺阳离子时，Q与R相同，而R为苯基或一至三个碳原子的烷基时，Q为苯基或一至三个碳原子的烷基；Z从氢、一至三个碳原子的烷基和苯基中选择。这些化合物与药用载体配方，用于口服或静脉注射，吸入为首选方法。这些组合物在预防治疗对过敏或非过敏性的变应原或非变应原介导的变应反应敏感的人类和哺乳动物中很有用。
• Dioxamic acids and salts
  申请人：The Upjohn Company

  公开号：US04159278A1

  公开（公告）日：1979-06-26

  Compounds represented below ##STR1## and pharmaceutical compositions thereof, the compositions including the non-substituted phenylene dioxamates are useful in the prophylactic treatment of sensitized mammals for allergy and all anaphylactic reactions of a reagin or non-reagin mediated nature.

  下面所代表的化合物##STR1##及其药物组成物，其中包括非取代苯二酰肟，可用于对致敏哺乳动物的预防性治疗，用于对抗抗原或非抗原介导的过敏反应。
• N-Hetero substituted dioxamic acid compounds
  申请人：The Upjohn Company

  公开号：US04186127A1

  公开（公告）日：1980-01-29

  Compounds represented below ##STR1## and pharmaceutical compositions thereof, the compositions including the non-substituted phenylene dioxamates are useful in the prophylactic treatment of sensitized mammals for allergy and all anaphylactic reactions of a reagin or non-reagin mediated nature.

  下面所代表的化合物##STR1##及其制药组合物，其中包括非取代的苯二酰胺，可用于预防治疗对变态反应或非变态反应介导的过敏反应敏感的哺乳动物。