2-ethyl-5-(4-fluorophenyl)-4-methylthiazole | 1109226-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-ethyl-5-(4-fluorophenyl)-4-methylthiazole
• 英文别名: 2-Ethyl-5-(4-fluorophenyl)-4-methyl-1,3-thiazole
• CAS: 1109226-48-3
• 化学式: C₁₂H₁₂FNS
• 分子量: 221.298
• InChiKey: ZQIUBAZOHRITEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-乙基-4-甲基噻唑 、 对溴氟苯 在 PdCl(C₃H₅)(dppb) 、 potassium acetate 作用下， 以 戊醇 为溶剂， 反应 20.0h， 以67%的产率得到2-ethyl-5-(4-fluorophenyl)-4-methylthiazole
  参考文献：
  名称：

  Palladium-catalysed direct arylations of heteroaromatics using more eco-compatible solvents pentan-1-ol or 3-methylbutan-1-ol

  摘要：

  The palladium-catalysed direct coupling of aryl halides with heteroaromatics in greener solvents than DMF or DMAc, which are often employed for such couplings, would be a considerable advantage for both industrial application and sustainable development. We observed that a range of aryl bromides undergoe coupling via C-H bond activation/functionalisation reaction of thiazoles or imidazoles in moderate to good yields using pentan-1-ol or 3-methylbutan-1-ol as the solvents. Pentan-1-ol and 3-methylbutan-1-ol are less toxic than DMF or DMAc, moreover they are bioresources as they can be obtained by fermentation. Therefore, these reaction conditions are certainly more eco-compatible than those generally employed for such couplings. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.084

文献信息

• N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：BRANCH Clive Leslie

  公开号：US20080318944A1

  公开（公告）日：2008-12-25

  Disclosed are N-aroyl cyclic amine derivatives having the formula: where the variables are as define herein, and their use as pharmaceuticals, specifically as orexin receptor antagonists.

  本发明涉及具有以下公式的N-芳酰基环氨基衍生物：其中变量如本文所定义，并且它们作为药物的用途，特别是作为促进睡眠的药物。
• N-AROYL CYCLIC AMINES
  申请人：BRANCH Clive Leslie

  公开号：US20090029986A1

  公开（公告）日：2009-01-29

  Disclosed are N-aroyl cyclic amine derivatives having the formula: wherein the substituent variables are as defined herein, and their use as pharmaceuticals.

  揭示了具有以下公式的N-芳酰基环状胺衍生物： 其中取代基变量如此定义，并且它们作为药物的用途。
• US7432270B2
  申请人：——

  公开号：US7432270B2

  公开（公告）日：2008-10-07
• US7470710B2
  申请人：——

  公开号：US7470710B2

  公开（公告）日：2008-12-30
• US7741329B2
  申请人：——

  公开号：US7741329B2

  公开（公告）日：2010-06-22