methyl 3-(4-(4-fluorophenyl)-5-phenyloxazol-2-yl)propanoate | 1407998-17-7

• 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 3-(4-(4-fluorophenyl)-5-phenyloxazol-2-yl)propanoate
• 英文别名: Methyl 3-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoate；methyl 3-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoate
• CAS: 1407998-17-7
• 化学式: C₁₉H₁₆FNO₃
• 分子量: 325.339
• InChiKey: SFGCLWOEKDUXQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-(4-(4-fluorophenyl)-5-phenyloxazol-2-yl)propanoate 在 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以93%的产率得到3-(4-(4-fluorophenyl)-5-phenyloxazol-2-yl)propanoic acid
  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
• 作为产物：
  描述：

  methyl 4-((1-(4-fluorophenyl)-2-phenylvinyl)amino)-4-oxobutanoate 在 碘苯二乙酸 、 三氟化硼乙醚 作用下， 以 1,2-二氯乙烷 为溶剂， 以87%的产率得到methyl 3-(4-(4-fluorophenyl)-5-phenyloxazol-2-yl)propanoate
  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.