methyl 2-hexyl-5-phenyloxazole-4-carboxylate | 1407998-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 2-hexyl-5-phenyloxazole-4-carboxylate
• 英文别名: Methyl 2-hexyl-5-phenyl-1,3-oxazole-4-carboxylate；methyl 2-hexyl-5-phenyl-1,3-oxazole-4-carboxylate
• CAS: 1407998-10-0
• 化学式: C₁₇H₂₁NO₃
• 分子量: 287.359
• InChiKey: QZERTJSSVKZIHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 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：

  N-庚酰甘氨酸 在 碘苯二乙酸 、 三氟化硼乙醚 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 17.5h， 生成 methyl 2-hexyl-5-phenyloxazole-4-carboxylate
  参考文献：
  名称：

  Synthesis of Oxazoles from Enamides via Phenyliodine Diacetate-Mediated Intramolecular Oxidative Cyclization

  摘要：

  A group of functionalized oxazoles were synthesized in moderate to good yields from enamides via phenyliodine diacetate (PIDA)-mediated intramolecular cyclization. The main advantageous features of the present method include its broad substrate scope and the heavy-metal-free characteristic of the oxidative carbon-oxygen bond formation process.

  DOI：

  10.1021/jo302073e

文献信息

• Synthesis of Oxazoles from Enamides via Phenyliodine Diacetate-Mediated Intramolecular Oxidative Cyclization
  作者：Yunhui Zheng、Xuming Li、Chengfeng Ren、Daisy Zhang-Negrerie、Yunfei Du、Kang Zhao

  DOI：10.1021/jo302073e

  日期：2012.11.16

  A group of functionalized oxazoles were synthesized in moderate to good yields from enamides via phenyliodine diacetate (PIDA)-mediated intramolecular cyclization. The main advantageous features of the present method include its broad substrate scope and the heavy-metal-free characteristic of the oxidative carbon-oxygen bond formation process.