5-Bromo-3-methyl-2-nitroaniline | 1266383-33-8

• 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: 5-Bromo-3-methyl-2-nitroaniline
• CAS: 1266383-33-8
• 化学式: C₇H₇BrN₂O₂
• 分子量: 231.049
• InChiKey: SXDVGGTVKSILAM-UHFFFAOYSA-N

物化性质

• 沸点：
  335.9±37.0 °C(Predicted)
• 密度：
  1.698±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Bromo-3-methyl-2-nitroaniline 在 platinum on activated charcoal 、 氢气 作用下， 生成 5-溴-3-甲基苯-1,2-二胺
  参考文献：
  名称：

  The development of benzimidazoles as selective rho kinase inhibitors

  摘要：

  Rho Kinase (ROCK) is a serine/threonine kinase whose inhibition could prove beneficial in numerous therapeutic areas. We have developed a promising class of ATP-competitive inhibitors based upon a benzimidazole scaffold, which show excellent potency toward ROCK (IC50 < 10 nM). This report details the optimization of selectivity for ROCK over other related kinases such as Protein kinase A (PKA). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.124
• 作为产物：
  描述：

  5-溴-1-氟-3-甲基-2-硝基苯 在 氨 、 potassium carbonate 作用下， 生成 5-Bromo-3-methyl-2-nitroaniline
  参考文献：
  名称：

  The development of benzimidazoles as selective rho kinase inhibitors

  摘要：

  Rho Kinase (ROCK) is a serine/threonine kinase whose inhibition could prove beneficial in numerous therapeutic areas. We have developed a promising class of ATP-competitive inhibitors based upon a benzimidazole scaffold, which show excellent potency toward ROCK (IC50 < 10 nM). This report details the optimization of selectivity for ROCK over other related kinases such as Protein kinase A (PKA). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.124

文献信息

• Cooperative iridium complex-catalyzed synthesis of quinoxalines, benzimidazoles and quinazolines in water
  作者：Kaushik Chakrabarti、Milan Maji、Sabuj Kundu

  DOI：10.1039/c8gc03744b

  日期：——

  Herein, an efficient methodology for the synthesis of a diverse class of N-heterocyclic moieties, such as quinoxalines, benzimidazoles and quinazolines, was developed in water using bio-renewable alcohols. The quinoxalines were successfully synthesized from a wide range of diamines and nitroamines with diols in air. Interestingly, benzimidazoles and quinazolines were synthesized with excellent isolated

  本文中，使用生物可再生醇在水中开发了用于合成多种类别的N-杂环基团例如喹喔啉，苯并咪唑和喹唑啉的有效方法。喹喔啉是由多种二胺和硝基胺与二醇在空气中成功合成的。有趣的是，在不使用任何外部碱的情况下，合成苯并咪唑和喹唑啉具有优异的分离收率。最后，各种N-杂环和药学活性喹喔啉的制备规模合成确立了该方案的实用性。对于这种铱系统，基于动力学和DFT研究提出了金属-配体协同机理。
• Application of a reusable Co-based nanocatalyst in alcohol dehydrogenative coupling strategy: Synthesis of quinoxaline and imine scaffolds
  作者：Dibyajyoti Panja、Bhaskar Paul、Bhuvaneshwari Balasubramaniam、Raju K. Gupta、Sabuj Kundu

  DOI：10.1016/j.catcom.2020.105927

  日期：2020.4

  efficient synthesis of imines and quinoxaline motifs is reported. Co(OAc)2-Phen/Carbon-800 (Co-phen/C-800) showed the superior reactivity compared to other materials prepared at different temperature, in the synthesis of quinoxalines by the coupling between diamines and diols. Moreover, applying the transfer hydrogenation and acceptorless dehydrogenative coupling strategy, imines and quinoxaline derivatives

  报道了氮掺杂的碳负载的钴催化的亚胺和喹喔啉基序的有效合成。与在不同温度下制备的其他材料相比，Co（OAc）2-苯/碳800（Co-phen / C-800）在通过二胺和二醇之间的偶联合成喹喔啉中显示出优异的反应活性。此外，应用转移氢化和无受体脱氢偶联策略，由硝基化合物合成了亚胺和喹喔啉衍生物。该方案的实际适用性已通过克级合成和高达第8个循环的催化剂可重复使用性证明。此外，进行了一些动力学实验以实现可能的机理。
• GYRASE INHIBITORS AND USES THEREOF
  申请人：Charifson PAUL

  公开号：US20090325955A1

  公开（公告）日：2009-12-31

  The present invention relates to methods of treating, preventing, or lessening the severity of resistant bacterial infections in mammals, utilizing compounds of formula I or formula VII or pharmaceutically salts thereof. The present invention also relates to methods of using compounds of formula I or formula VII in combination with one or more additional antibacterial agents and/or one or more additional therapeutic agents that increase the susceptibility of bacterial organisms to antibiotics.

  本发明涉及使用化合物I或化合物VII或其药学盐在哺乳动物中治疗、预防或减轻耐药细菌感染的方法。本发明还涉及使用化合物I或化合物VII与一个或多个额外的抗菌剂和/或一个或多个增加细菌对抗生素敏感性的治疗剂相结合的方法。
• Gyrase Inhibitors and Uses Thereof
  申请人：Charifson Paul

  公开号：US20120010222A1

  公开（公告）日：2012-01-12

  The present invention relates to methods of treating, preventing, or lessening the severity of resistant bacterial infections in mammals, utilizing compounds of formula I or formula VII or pharmaceutically salts thereof. The present invention also relates to methods of using compounds of formula I or formula VII in combination with one or more additional antibacterial agents and/or one or more additional therapeutic agents that increase the susceptibility of bacterial organisms to antibiotics.

  本发明涉及使用I式或VII式化合物或其药学盐治疗、预防或减轻哺乳动物中耐药细菌感染的方法。本发明还涉及使用I式或VII式化合物与一种或多种额外的抗菌剂和/或一种或多种增加细菌对抗生素易感性的治疗剂联合使用的方法。
• US3940417A
  申请人：——

  公开号：US3940417A

  公开（公告）日：1976-02-24