2-cyano-4-nitro-N,N-dimethylaniline | 17417-10-6

• 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: 2-cyano-4-nitro-N,N-dimethylaniline
• 英文别名: 2-cyano-N,N-dimethyl-4-nitroaniline；2-dimethylamino-5-nitro-benzonitrile；2-Dimethylamino-5-nitro-benzonitril；2-(Dimethylamino)-5-nitrobenzonitrile；2-Cyan-4-nitro-N.N-dimethyl-anilin
• CAS: 17417-10-6
• 化学式: C₉H₉N₃O₂
• mdl: MFCD01013863
• 分子量: 191.189
• InChiKey: UJNXNPZZNZXXJN-UHFFFAOYSA-N

物化性质

• 熔点：
  110 °C
• 沸点：
  342.7±37.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  72.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-cyano-4-nitro-N,N-dimethylaniline 在 硝酸 作用下， 生成 2-(methyl-nitro-amino)-3,5-dinitro-benzonitrile
  参考文献：
  名称：

  Baudet, Recueil des Travaux Chimiques des Pays-Bas, 1924, vol. 43, p. 718

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-5-硝基苯甲腈 、 二甲胺 以 乙醇 为溶剂， 生成 2-cyano-4-nitro-N,N-dimethylaniline
  参考文献：
  名称：

  Makosza; Voskresensky; Bialecki, Polish Journal of Chemistry, 1999, vol. 73, # 12, p. 1969 - 1977

  摘要：

  DOI：

文献信息

• Reaction Products of Activated Aromatic and Heteroaromatic Chlorides with <i>N,N</i>-Disubstituted Formamides
  作者：Zdzisław Brzozowski、Jarosław Sławiński

  DOI：10.1080/00397910903136118

  日期：2010.5.11

  N-disubstituted aromatic amines (3a–g) was obtained in very good yield by the reaction of adequate doubly activated aromatic or heteroaromatic halides (1a–e) with N,N-disubstituted formamides (2a–c). Analogously, starting from 4-chloro-3-pyridinesulfonamide, the appropriate 4-dialkylamino-1H +-pyridinium-3-(N-formyl)sulfonamidates (5a,b) were obtained in 52–60% yield. Mechanisms of the reactions are discussed

  通过足够的双活化芳香族或杂芳香族卤化物（1a-e）与 N,N-二取代甲酰胺（2a-c）反应，以非常好的收率获得了几种 N,N-二取代芳香胺（3a-g）。类似地，从 4-氯-3-吡啶磺酰胺开始，以 52-60% 的产率获得了合适的 4-二烷基氨基-1H +-吡啶鎓-3-(N-甲酰基)磺酰胺 (5a,b)。讨论了反应机理。
• Lipoic acid derivatives, their preparation, and pharmaceutical compositions containing them
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US06605637B1

  公开（公告）日：2003-08-12

  The invention concerns novel lipoic acid derivatives, which have an inhibiting action with respect to NO-synthase enzymes producing nitrogen monoxide NO and/or are agents enabling the regeneration of antioxidants or entities trapping reactive oxygen species (ROS) and intervening in a more general manner in the redox status of thiol groups. The invention also concerns methods for preparing them, pharmaceutical compositions containing them and their use for therapeutic purposes, particularly their use as NO-synthase inhibitors and/or as agents acting more generally in the redox status of thiol groups.

  这项发明涉及新型硫辛酸衍生物，其对产生一氧化氮(NO)的NO合酶酶具有抑制作用和/或是能够促进抗氧化剂或能够捕获活性氧物质(ROS)的实体再生，并以更一般的方式干预巯基的氧化还原状态。该发明还涉及其制备方法、含有它们的药物组合物以及它们用于治疗目的的用途，特别是它们作为NO合酶抑制剂和/或作为更广泛地作用于巯基氧化还原状态的药剂的用途。
• New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S)

  公开号：US20040019084A1

  公开（公告）日：2004-01-29

  The invention concerns novel lipoic acid derivatives, which have an inhibiting action with respect to NO-synthase enzymes producing nitrogen monoxide NO and/or are agents enabling the regeneration of antioxidants or entities trapping reactive oxygen species (ROS) and intervening in a more general manner in the redox status of thiol groups. The invention also concerns methods for preparing them, pharmaceutical compositions containing them and their use for therapeutic purposes, particularly their use as NO-synthase inhibitors and/or as agents acting more generally in the redox status of thiol groups.

  本发明涉及新型硫辛酸衍生物，其对产生氮氧化物NO的NO合酶酶具有抑制作用和/或是能够再生抗氧化剂或俘获反应性氧化物种（ROS）的实体，并以更一般的方式干预巯基的氧化还原状态。本发明还涉及制备它们的方法，含有它们的制药组合物以及它们作为治疗用途的应用，特别是它们作为NO合酶抑制剂和/或作为更一般地干预巯基氧化还原状态的试剂的应用。
• Derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：Harnett Jeremiah

  公开号：US06887891B2

  公开（公告）日：2005-05-03

  Compounds of formula wherein the substituents are as defined in the specification which compounds are useful for inhibiting the activity of NO-synthase enzymes.

  该式化合物中的取代基如规范中所定义，这些化合物对于抑制NO合酶酶的活性是有用的。
• Plakidin, Val. L.; Vostrova, V. N., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 295 - 303
  作者：Plakidin, Val. L.、Vostrova, V. N.

  DOI：——

  日期：——