1-allyl-2-methyl-4-nitroimidazole | 135009-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-allyl-2-methyl-4-nitroimidazole
• 英文别名: 1-Allyl-2-methyl-4-nitro-1H-imidazole；2-methyl-4-nitro-1-prop-2-enylimidazole
• CAS: 135009-58-4
• 化学式: C₇H₉N₃O₂
• 分子量: 167.167
• InChiKey: NSPRVKRGZZVZLX-UHFFFAOYSA-N

物化性质

• 沸点：
  326.9±25.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲基-4-硝基咪唑 、 3-溴丙烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以92%的产率得到1-allyl-2-methyl-4-nitroimidazole
  参考文献：
  名称：

  A Facile High Yielding Method for Synthesis of N-Alkyl-4-Nitroimidazoles

  摘要：

  A high yielding and fast reaction for the synthesis of a variety of N-alkyl 4-nitroimidazoles has been described. This method involves reaction of 2-methyl-4(5)-nitro-1H-imidazole with suitable alkyl halides in K2CO3/DMF at 110-120-degrees-C.

  DOI：

  10.1080/00397919108016766

文献信息

• Palladium(0)-catalyzed allylation of 4(5)-substituted imidazoles, 5(6)-substituted benzimidazoles, benzotriazole and 5(6)-methylbenzotriazole
  作者：N. Arnau、Y. Arredondo、M. Moreno-Mañas、R. Pleixats、M. Villarroya

  DOI：10.1002/jhet.5570320438

  日期：1995.7

  Pd(0)-Catalyzed allylations of 4(5)-nitroimidazole, 1, 2-methyl-4(5)-nitroimidazole, 2, 4(5)-bromo-imidazole, 7, 4(5)-methoxyimidazole, 10, 5(6)-nitrobenzimidazole, 16a, 5(6)-methylbenzimidazole, 16b, benzotriazole, 19, and 5(6)-methylbenzotriazole, 22, were studied under several reaction conditions. Nitroimidazoles 1 and 2 were regioselectively allylated under thermodynamic control, leading to 1-allyl-4-nitro

  的Pd（0）的4（5） -硝基咪唑催化的烯丙基化，1，2-甲基-4（5） -硝基咪唑，2，4（5） -溴咪唑，7，4（5）-methoxyimidazole，10，在几种反应条件下研究了5（6）-硝基苯并咪唑16a，5（6）-甲基苯并咪唑16b，苯并三唑19和22（5）-甲基苯并三唑22。在热力学控制下将硝基咪唑1和2区域选择性烯丙基化，生成1-allyl-4-nitro衍生物。
• Pharmaceutical compositions primarily for the treatment and prevention of genitourinary infections and their extragenital complications
  申请人：Milankovits Marton

  公开号：US20050208152A1

  公开（公告）日：2005-09-22

  Compositions having synergistic effective amounts of one or more antibacterial agents, a nitroimidazole, and/or a sulfonamide or a molecule or compound having folic acid antagonist effect and nitroimidazole substitution in addition, with or without an antifungal agent effective against a Candida species. The compositions are particularly useful in the treatment of genitourinary infections and their extragenital complications. Vaccination against pathogen microbes of the vagina provides a stronger and longer immune response, then the infection.

  具有协同有效量的抗菌剂、硝基咪唑和/或磺胺类化合物或具有叶酸拮抗剂作用和硝基咪唑取代的分子或化合物的组合物，有或没有对抗念珠菌属菌有效的抗真菌剂。该组合物特别适用于治疗泌尿生殖感染及其非生殖并发症。针对阴道病原微生物的疫苗接种提供了比感染更强且更持久的免疫反应。
• Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications
  申请人：Marton Milankovits

  公开号：US20090124593A1

  公开（公告）日：2009-05-14

  Compositions having an effective amount of an antibacterial agent may be useful in the treatment of amyotrophic lateral sclerosis (ALS). The compositions may include an extraordinary amount of the antibacterial agent.

  含有有效量抗菌剂的组合物可能对治疗肌萎缩侧索硬化症（ALS）有用。这些组合物可能包含超常量的抗菌剂。
• Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications
  申请人：Milankovits Marton

  公开号：US20090074839A1

  公开（公告）日：2009-03-19

  Compositions having synergistic effective amounts of one or more antibacterial agents, a nitroimidazole, and/or a sulfonamide or a molecule or compound having folic acid antagonist effect and nitroimidazole substitution in addition, with or without an antifungal agent effective against a Candida species. The compositions are particularly useful in the treatment of genitourinary infections and their extragenital complications. Vaccination against pathogen microbes of the vagina provides a stronger and longer immune response, then the infection.

  具有协同作用的抗菌剂、硝基咪唑类、磺胺类或具有叶酸拮抗剂作用和硝基咪唑取代的分子或化合物的有效量，以及具有对白色念珠菌有效的抗真菌剂，或者不含抗真菌剂也可。这些组合物在治疗泌尿生殖感染及其外生殖并发症方面特别有用。阴道病原微生物的疫苗接种提供了比感染更强和更长的免疫反应。
• Rao, A. K. S. Bhujanga; Rao, C. Gundu; Singh, B. B., Journal of the Chemical Society. Perkin transactions I, 1994, # 17, p. 2399 - 2402
  作者：Rao, A. K. S. Bhujanga、Rao, C. Gundu、Singh, B. B.

  DOI：——

  日期：——