5-乙酰氧基甲基异恶唑3-羧酸 | 139297-57-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-乙酰氧基甲基异恶唑3-羧酸
• 英文名称: 5-acetoxymethyl isoxazole 3-carboxylic acid
• 英文别名: 5-(Acetyloxymethyl)-1,2-oxazole-3-carboxylic acid
• CAS: 139297-57-7
• 化学式: C₇H₇NO₅
• 分子量: 185.136
• InChiKey: CLIQBXJCXJJMFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  89.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-乙酰氧基甲基异恶唑3-羧酸 在 ammonium hydroxide 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 36.0h， 生成 [3-[(2,6-二甲基苯基)氨基甲酰]-1,2-恶唑-5-基]甲基苯甲酸酯
  参考文献：
  名称：

  New N-aryl isoxazolecarboxamides and N-isoxazolylbenzamides as anticonvulsant agents

  摘要：

  We prepared a series of N-aryl isoxazolecarboxamide, N-isoxazolylbenzamide compounds and derivatives and studied their anticonvulsant action in MES and MMS tests. Some of these reveal considerable activity, especially with respect to MES test. The disubstitution in the 2.6-position on the phenyl ring by two methyl groups would appear to be of primary importance for the activity. The amide bridge between the phenyl and isoxazolic rings, whether of the anilide or benzamide type, seems to show similar anticonvulsant behavior. We have selected the derivatives 8 (N-(2.6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide, 12 (N-(2,6-dimethylphenyl)-5-hydroxymethyl-3-isoxazolecarboxamide) and 51 (N-(5-methyl-3-isoxazolyl)-2.6-dimethylbenzamide) which are presently being studied in more extended pharmacological tests.

  DOI：

  10.1016/0223-5234(92)90137-p
• 作为产物：
  描述：

  5-羟甲基异噁唑-3-甲酸乙酯 在 sodium hydroxide 、 硫酸 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 生成 5-乙酰氧基甲基异恶唑3-羧酸
  参考文献：
  名称：

  New N-aryl isoxazolecarboxamides and N-isoxazolylbenzamides as anticonvulsant agents

  摘要：

  We prepared a series of N-aryl isoxazolecarboxamide, N-isoxazolylbenzamide compounds and derivatives and studied their anticonvulsant action in MES and MMS tests. Some of these reveal considerable activity, especially with respect to MES test. The disubstitution in the 2.6-position on the phenyl ring by two methyl groups would appear to be of primary importance for the activity. The amide bridge between the phenyl and isoxazolic rings, whether of the anilide or benzamide type, seems to show similar anticonvulsant behavior. We have selected the derivatives 8 (N-(2.6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide, 12 (N-(2,6-dimethylphenyl)-5-hydroxymethyl-3-isoxazolecarboxamide) and 51 (N-(5-methyl-3-isoxazolyl)-2.6-dimethylbenzamide) which are presently being studied in more extended pharmacological tests.

  DOI：

  10.1016/0223-5234(92)90137-p

文献信息

• US5258397A
  申请人：——

  公开号：US5258397A

  公开（公告）日：1993-11-02
• US5464860A
  申请人：——

  公开号：US5464860A

  公开（公告）日：1995-11-07