4-ethyl-1-(4-fluorophenyl)-1H-1,2,3-triazole | 1276538-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-ethyl-1-(4-fluorophenyl)-1H-1,2,3-triazole
• 英文别名: 4-Ethyl-1-(4-fluorophenyl)triazole
• CAS: 1276538-13-6
• 化学式: C₁₀H₁₀FN₃
• 分子量: 191.208
• InChiKey: JYCNCPJHHHWEAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-戊炔酸 、 对氟碘苯 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 、 potassium carbonate 、 L-脯氨酸 作用下， 以 水 、 二甲基亚砜 为溶剂， 以100%的产率得到4-ethyl-1-(4-fluorophenyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Tandem Catalysis: From Alkynoic Acids and Aryl Iodides to 1,2,3-Triazoles in One Pot

  摘要：

  A tandem catalysis protocol based on decarboxylative coupling of alkynoic acids and 1,3-dipolar cycloaddition of azides enables a highly efficient synthesis of a variety of functionalized 1,2,3-triazoles. The three-step, one-pot method avoids usage of gaseous or highly volatile terminal alkynes, reduces handling of potentially unstable and explosive azides to a minimum, and furnishes target structures in excellent yields and a very good purity without the need for additional purification.

  DOI：

  10.1021/jo1024927

文献信息

• NOVEL ANTIMICROBIALS
  申请人：Jain Rajesh

  公开号：US20110245258A1

  公开（公告）日：2011-10-06

  The present invention relates to novel phenyl oxazolidinone compounds of formula I, their pharmaceutically acceptable analogs, tautomeric forms, stereoisomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The invention also relates to the processes for the synthesis of novel compounds of formula I or their pharmaceutically acceptable analogs, tautomeric forms, stereoisomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The present invention also provides pharmaceutical compositions comprising novel compounds of formula I and methods of using them. The compounds of the present invention are useful as antimicrobial agents, effective against a number of aerobic and/or anaerobic Gram positive and/or Gram negative pathogens such as multi drug resistant species of Staphylococcus, Streptococcus, Enterococcus, Bacterioides, Clostridia, H. influenza, Moraxella, acid-fast organisms such as Mycobacterium tuberculosis as well as Linezolid resistant species of Staphylococcus and Enterococcus.

  本发明涉及公式I的新型苯基噁唑啉酮化合物，它们的药学上可接受的类似物、互变异构体、立体异构体、多晶形态、前药、代谢物、盐或其溶剂。本发明还涉及合成公式I的新化合物或其药学上可接受的类似物、互变异构体、立体异构体、多晶形态、前药、代谢物、盐或其溶剂的过程。本发明还提供了包含公式I的新化合物的制药组合物和使用它们的方法。本发明的化合物是抗微生物剂，对多种需氧和/或厌氧革兰阳性和/或革兰阴性病原体具有有效作用，如金黄色葡萄球菌、链球菌、肠球菌、拟杆菌、梭菌、流感嗜血杆菌、摩拉克斯氏菌、抗利多霉素的金黄色葡萄球菌和肠球菌等耐药菌。
• Tandem Catalysis: From Alkynoic Acids and Aryl Iodides to 1,2,3-Triazoles in One Pot
  作者：Andrej Kolarovič、Michael Schnürch、Marko D. Mihovilovic

  DOI：10.1021/jo1024927

  日期：2011.4.15

  A tandem catalysis protocol based on decarboxylative coupling of alkynoic acids and 1,3-dipolar cycloaddition of azides enables a highly efficient synthesis of a variety of functionalized 1,2,3-triazoles. The three-step, one-pot method avoids usage of gaseous or highly volatile terminal alkynes, reduces handling of potentially unstable and explosive azides to a minimum, and furnishes target structures in excellent yields and a very good purity without the need for additional purification.