2-(4-甲氧基苯基)-5-(4-三氟甲基苯基)恶唑 | 1020264-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-甲氧基苯基)-5-(4-三氟甲基苯基)恶唑
• 英文名称: 2-(4-methoxyphenyl)-5-(4-trifluoromethylphenyl)oxazole
• 英文别名: 2-(4-Methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole；2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
• CAS: 1020264-24-7
• 化学式: C₁₇H₁₂F₃NO₂
• 分子量: 319.283
• InChiKey: ATUFSNUSKNWJOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(4-甲氧基苯基)-恶唑 、 4-碘三氟甲苯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 三苯基膦 、 silver carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 24.0h， 以97%的产率得到2-(4-甲氧基苯基)-5-(4-三氟甲基苯基)恶唑
  参考文献：
  名称：

  Direct arylations on water: synthesis of 2,5-disubstituted oxazoles balsoxin and texaline

  摘要：

  报告了一种高效的二步钯催化合成2,5-二取代恶唑的方法。

  DOI：

  10.1039/b719466h

文献信息

• One-pot Sequential Direct C–H Bond Arylation of Azoles Catalyzed by [Pd(phen)₂](PF₆)₂: Synthetic Methods for Triarylated Azoles
  作者：Fumitoshi Shibahara、Takayuki Yamauchi、Eiji Yamaguchi、Toshiaki Murai

  DOI：10.1021/jo301621t

  日期：2012.10.5

  Synthetic methods for triarylated azoles containing three different aryl groups via one-pot sequential multiple C-H bond arylations are described. The one-pot sequential diarylation of C5-monoarylated azoles was achieved by the simple sequential addition of two different aryl iodides with a [Pd(phen)(2)]PF6 catalytic system. The one-pot triarylation of N-methylimidazole was achieved by the combination of a previously reported Pd(OAc)(2)-P(2-furyl)(3) system and the present [Pd(phen)(2)]PF6 system. In this case, portionwise addition of aryl halide, base and the catalyst in the final step significantly improved the overall yield of the desired triarylated product These protocols led to triarylated azoles without a loss of efficiency compared to the corresponding previously reported stepwise syntheses via direct C-H bond arylation.
• Direct arylations on water: synthesis of 2,5-disubstituted oxazoles balsoxin and texaline
  作者：Stephan A. Ohnmacht、Patrizia Mamone、Andrew J. Culshaw、Michael F. Greaney

  DOI：10.1039/b719466h

  日期：——

  An efficient two-step palladium catalysed synthesis of 2,5-disubstituted oxazoles is reported.

  报告了一种高效的二步钯催化合成2,5-二取代恶唑的方法。