ethyl 2-(naphthalen-1-ylmethyl)oxazole-4-carboxylate | 1309576-10-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 2-(naphthalen-1-ylmethyl)oxazole-4-carboxylate
• 英文别名: Ethyl 2-(1-Naphthylmethyl)oxazole-4-carboxylate；ethyl 2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxylate
• CAS: 1309576-10-0
• 化学式: C₁₇H₁₅NO₃
• 分子量: 281.311
• InChiKey: DKIHIAJYPFBLEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-恶唑甲酸乙酯 、 (氯甲基)萘 在 C₂H₃O₂^(1-)*C₂₀H₃₀OP^(1-)*C₂₀H₃₁OP*Pd⁽²⁺⁾ 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 18.0h， 以81%的产率得到ethyl 2-(naphthalen-1-ylmethyl)oxazole-4-carboxylate
  参考文献：
  名称：

  C–H Bond Arylations and Benzylations on Oxazol(in)es with a Palladium Catalyst of a Secondary Phosphine Oxide

  摘要：

  An air-stable, well-defined palladium complex derived from secondary phosphine oxide (SPO) (1-Ad)(2)P(O)H enabled efficient C-H bond functionalizations with ample scope, which set the stage for direct arylations and benzylations of (benz)oxazoles, as well as unprecedented palladium-catalyzed C-H bond arylations on nonaromatic oxazolines.

  DOI：

  10.1021/ol200986x

文献信息

• C–H Bond Arylations and Benzylations on Oxazol(in)es with a Palladium Catalyst of a Secondary Phosphine Oxide
  作者：Lutz Ackermann、Sebastian Barfüsser、Christoph Kornhaass、Anant R. Kapdi

  DOI：10.1021/ol200986x

  日期：2011.6.17

  An air-stable, well-defined palladium complex derived from secondary phosphine oxide (SPO) (1-Ad)(2)P(O)H enabled efficient C-H bond functionalizations with ample scope, which set the stage for direct arylations and benzylations of (benz)oxazoles, as well as unprecedented palladium-catalyzed C-H bond arylations on nonaromatic oxazolines.