4-[(4-Methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole | 1416422-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[(4-Methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole
• 英文别名: 4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole
• CAS: 1416422-93-9
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: BHDGLKGZQJPLBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯甲基-3,5-二甲基异噁唑 、 4-甲氧基苯硼酸 在 potassium phosphate 、 C₁₂H₁₀ClNPd*C₁₆H₂₁O₃P 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 20.0h， 以97%的产率得到4-[(4-Methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole
  参考文献：
  名称：

  Facile preparation of highly-functionalized, nitrogen-bearing diarylmethanes

  摘要：

  A palladium-catalyzed cross coupling of nitrogen bearing heterocyclic chloromethyl derivatives with aryl and heteroaryl boronic acids has been developed. In almost all cases, highly efficient cross-couplings were observed at ambient temperature, mitigating unwanted thermally induced side-reactions. The comprehensive substrate scope and respectable yields highlight the synthetic utility of this reaction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.112

文献信息

• Facile preparation of highly-functionalized, nitrogen-bearing diarylmethanes
  作者：Jason R. Schmink、Matthew T. Tudge

  DOI：10.1016/j.tetlet.2012.09.112

  日期：2013.1

  A palladium-catalyzed cross coupling of nitrogen bearing heterocyclic chloromethyl derivatives with aryl and heteroaryl boronic acids has been developed. In almost all cases, highly efficient cross-couplings were observed at ambient temperature, mitigating unwanted thermally induced side-reactions. The comprehensive substrate scope and respectable yields highlight the synthetic utility of this reaction. (C) 2012 Elsevier Ltd. All rights reserved.