methyl 2-(2-methoxyphenyl)benzo[d]oxazole-4-carboxylate | 1310944-70-7

• 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 2-(2-methoxyphenyl)benzo[d]oxazole-4-carboxylate
• 英文别名: caboxamycin；Methyl 2-(2-methoxyphenyl)-1,3-benzoxazole-4-carboxylate；methyl 2-(2-methoxyphenyl)-1,3-benzoxazole-4-carboxylate
• CAS: 1310944-70-7
• 化学式: C₁₆H₁₃NO₄
• 分子量: 283.284
• InChiKey: HWCFYMSXCJMZOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 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：
  61.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-(2-methoxyphenyl)benzo[d]oxazole-4-carboxylate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以60%的产率得到2-(2-methoxyphenyl)benzo[d]oxazole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis of Caboxamycin and Its Derivatives Using Eco-Friendly Oxidation

  摘要：

  The reaction of 3-hydroxyanthranilic acid or methyl 3-hydroxyanthranilate with O-benzylsalicylaldehyde in xylenes gave benzoxazole derivatives, which lead to a novel benzoxazole antibiotic, caboxamycin via debenzylation or demethylation in good yield, in the presence of dry activated carbon and bubbling molecular oxygen. The present reaction involves the simple procedure, easy workup and environmentally benign materials such as reusable activated carbon and molecular oxygen.

  DOI：

  10.3987/com-11-12138
• 作为产物：
  描述：

  2-氨基-3-羟基苯甲酸甲酯 、 邻甲氧基苯甲醛 在 氧气 、 甲烷 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 3.0h， 以77%的产率得到methyl 2-(2-methoxyphenyl)benzo[d]oxazole-4-carboxylate
  参考文献：
  名称：

  Synthesis of Caboxamycin and Its Derivatives Using Eco-Friendly Oxidation

  摘要：

  The reaction of 3-hydroxyanthranilic acid or methyl 3-hydroxyanthranilate with O-benzylsalicylaldehyde in xylenes gave benzoxazole derivatives, which lead to a novel benzoxazole antibiotic, caboxamycin via debenzylation or demethylation in good yield, in the presence of dry activated carbon and bubbling molecular oxygen. The present reaction involves the simple procedure, easy workup and environmentally benign materials such as reusable activated carbon and molecular oxygen.

  DOI：

  10.3987/com-11-12138

文献信息

• Synthesis of Caboxamycin and Its Derivatives Using Eco-Friendly Oxidation
  作者：Yoshinobu Tagawa、Hiroki Koba、Kazuhiro Tomoike、Kunihiro Sumoto

  DOI：10.3987/com-11-12138

  日期：——

  The reaction of 3-hydroxyanthranilic acid or methyl 3-hydroxyanthranilate with O-benzylsalicylaldehyde in xylenes gave benzoxazole derivatives, which lead to a novel benzoxazole antibiotic, caboxamycin via debenzylation or demethylation in good yield, in the presence of dry activated carbon and bubbling molecular oxygen. The present reaction involves the simple procedure, easy workup and environmentally benign materials such as reusable activated carbon and molecular oxygen.