2-(4-((1-(3,3,4,4,5,5,6,6,7,7,8,8-tridecafluorooctyl)-1H-1,2,3-triazol-4yl)methoxy)phenyl)naptho[1,2-d]oxazole | 1469283-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-((1-(3,3,4,4,5,5,6,6,7,7,8,8-tridecafluorooctyl)-1H-1,2,3-triazol-4yl)methoxy)phenyl)naptho[1,2-d]oxazole
• 英文别名: 2-[4-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)triazol-4-yl]methoxy]phenyl]benzo[e][1,3]benzoxazole；2-[4-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)triazol-4-yl]methoxy]phenyl]benzo[e][1,3]benzoxazole
• CAS: 1469283-63-3
• 化学式: C₂₈H₁₇F₁₃N₄O₂
• 分子量: 688.448
• InChiKey: FRYXZTYHHTUHLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  153-157 °C
• 沸点：
  581.8±60.0 °C(predicted)
• 密度：
  1.53±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  4-(naphtho[1,2-d]oxazol-2-yl)phenol 在 copper(l) iodide 、 potassium carbonate 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 10.0h， 生成 2-(4-((1-(3,3,4,4,5,5,6,6,7,7,8,8-tridecafluorooctyl)-1H-1,2,3-triazol-4yl)methoxy)phenyl)naptho[1,2-d]oxazole
  参考文献：
  名称：

  Synthesis and characterization of 2-(4-((1-alkyl or aryl-1H-1,2,3-triazol-4-yl)methoxy)phenyl)naphtho[1,2-d]oxazoles for protein tyrosine phosphatase 1B inhibitory activity

  摘要：

  2-(4-((1-Alkyl/aryl-1H-1,2,3-triazol-4-yl)methoxy)phenyl)naphtho[1,2-d] were prepared and evaluated as protein tyrosine phosphatase 1B (PTP1B) inhibitors. In this study, two new compounds with potent PTP1B inhibitory activity were identified.

  DOI：

  10.1007/s00044-013-0784-0

文献信息

• Synthesis and characterization of 2-(4-((1-alkyl or aryl-1H-1,2,3-triazol-4-yl)methoxy)phenyl)naphtho[1,2-d]oxazoles for protein tyrosine phosphatase 1B inhibitory activity
  作者：Sridhar Madabhushi、Narsaiah Chinthala、Abhinav Kanwal、Gagandeep Kaur、Sanjay K. Banerjee

  DOI：10.1007/s00044-013-0784-0

  日期：2014.4

  2-(4-((1-Alkyl/aryl-1H-1,2,3-triazol-4-yl)methoxy)phenyl)naphtho[1,2-d] were prepared and evaluated as protein tyrosine phosphatase 1B (PTP1B) inhibitors. In this study, two new compounds with potent PTP1B inhibitory activity were identified.