5-(Benzofuran-2-yl)-2-phenyloxazole | 1256602-69-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(Benzofuran-2-yl)-2-phenyloxazole
• 英文别名: 5-(1-Benzofuran-2-yl)-2-phenyl-1,3-oxazole；5-(1-benzofuran-2-yl)-2-phenyl-1,3-oxazole
• CAS: 1256602-69-3
• 化学式: C₁₇H₁₁NO₂
• 分子量: 261.28
• InChiKey: WQENQGMOSJWJKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-乙酰基苯并呋喃 在 碘 作用下， 以 二甲基亚砜 为溶剂， 生成 5-(Benzofuran-2-yl)-2-phenyloxazole
  参考文献：
  名称：

  Metal-free dual sp3 C–H functionalization: I2-promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles

  摘要：

  An I-2-promoted sp(3) C-H functionalization has been developed for the synthesis of 2,5-disubstituted oxazoles from easily available methyl ketones and benzylamines without any metal and peroxide catalyst. This domino oxidative cyclization process involves the cleavage of C H bond and the formation of C-N, C-O bonds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.072

文献信息

• TBHP/I₂-Mediated Domino Oxidative Cyclization for One-Pot Synthesis of Polysubstituted Oxazoles
  作者：Huanfeng Jiang、Huawen Huang、Hua Cao、Chaorong Qi

  DOI：10.1021/ol1023085

  日期：2010.12.3

  A facile type of one-pot, transition-metal-free domino process was developed for the synthesis of oxazoles. Thus, a variety of polysubstituted oxazoles were easily synthesized via t-BuOOH/I2-mediated domino oxidative cyclization from readily available starting materials under mild conditions.

  开发了一种简便的单罐，无过渡金属的多米诺骨牌工艺，用于合成恶唑。因此，通过t- BuOOH / I 2介导的多米诺氧化环化反应可以容易地在温和条件下从容易获得的起始原料合成多种多取代的恶唑。
• Metal-free dual sp3 C–H functionalization: I2-promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles
  作者：Qing-He Gao、Zhuan Fei、Yan-Ping Zhu、Mi Lian、Feng-Cheng Jia、Mei-Cai Liu、Neng-Fang She、An-Xin Wu

  DOI：10.1016/j.tet.2012.10.072

  日期：2013.1

  An I-2-promoted sp(3) C-H functionalization has been developed for the synthesis of 2,5-disubstituted oxazoles from easily available methyl ketones and benzylamines without any metal and peroxide catalyst. This domino oxidative cyclization process involves the cleavage of C H bond and the formation of C-N, C-O bonds. (C) 2012 Elsevier Ltd. All rights reserved.