methyl 3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylate | 1267901-30-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylate
• 英文别名: Methyl 3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylate；methyl 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
• CAS: 1267901-30-3
• 化学式: C₁₃H₁₃NO₄
• 分子量: 247.251
• InChiKey: SOQAHPVQGVNBTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  2-甲氧基苯甲醛肟 在 N-氯代丁二酰亚胺 、 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 methyl 3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylate
  参考文献：
  名称：

  An efficient one-pot synthesis of 3-aryl-5-methylisoxazoles from aryl aldehydes

  摘要：

  An efficient protocol for the one-pot preparation of alkyl 3-aryl-5-methylisoxazole-4-carboxylates from aryl aldehydes is described. This method is readily amenable to the large scale preparation of isoxazoles as well as the parallel synthesis of isoxazole libraries. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.104

文献信息

• An efficient one-pot synthesis of 3-aryl-5-methylisoxazoles from aryl aldehydes
  作者：Shirong Zhu、Shuhao Shi、Samuel W. Gerritz

  DOI：10.1016/j.tetlet.2011.05.104

  日期：2011.8

  An efficient protocol for the one-pot preparation of alkyl 3-aryl-5-methylisoxazole-4-carboxylates from aryl aldehydes is described. This method is readily amenable to the large scale preparation of isoxazoles as well as the parallel synthesis of isoxazole libraries. (C) 2011 Elsevier Ltd. All rights reserved.