Methyl 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]benzoate | 1232144-42-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]benzoate
• CAS: 1232144-42-1
• 化学式: C₁₆H₁₂ClNO₃
• 分子量: 301.729
• InChiKey: SRRJPNDAVJERMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  2-氨基-5-氯苯酚 、 4-(2,2-二溴乙烯基)苯甲酸甲酯 在 三乙烯二胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 10.0h， 以72%的产率得到Methyl 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]benzoate
  参考文献：
  名称：

  Facile synthesis of benzoxazoles from 1,1-dibromoethenes

  摘要：

  Direct coupling of 1,1-dibromoethenes with 2-aminophenols had been achieved to form the corresponding benzoxazoles under mildly basic reaction conditions. A variety of substituted 2-aminophenols provided the desired products in moderate to good yields. Even though 1,1-dibromoethenes have to be derived from arylcarboxaldehydes or glyoxalate for the reactions, this method still provides a new route to the preparation of benzoxazoles, complementing to existing synthetic strategies. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.071

文献信息

• Facile synthesis of benzoxazoles from 1,1-dibromoethenes
  作者：Kemei Tao、Jianlong Zheng、Zhaogui Liu、Wang Shen、Jiancun Zhang

  DOI：10.1016/j.tetlet.2010.04.071

  日期：2010.6

  Direct coupling of 1,1-dibromoethenes with 2-aminophenols had been achieved to form the corresponding benzoxazoles under mildly basic reaction conditions. A variety of substituted 2-aminophenols provided the desired products in moderate to good yields. Even though 1,1-dibromoethenes have to be derived from arylcarboxaldehydes or glyoxalate for the reactions, this method still provides a new route to the preparation of benzoxazoles, complementing to existing synthetic strategies. (C) 2010 Elsevier Ltd. All rights reserved.