3-[(2,6-二甲基苯氧基)甲基]-5-甲基-1,2-恶唑 | 145441-07-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-[(2,6-二甲基苯氧基)甲基]-5-甲基-1,2-恶唑
• 英文名称: 3-(2,6-dimethylphenoxymethyl)-5-methyl-3-isoxazole
• 英文别名: Isoxazole, 3-((2,6-dimethylphenoxy)methyl)-5-methyl-；3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole
• CAS: 145441-07-2
• 化学式: C₁₃H₁₅NO₂
• mdl: MFCD01716714
• 分子量: 217.268
• InChiKey: NNOOILDKFIECSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氯甲基-5-甲基异恶唑 、 2,6-二甲基苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以52%的产率得到3-[(2,6-二甲基苯氧基)甲基]-5-甲基-1,2-恶唑
  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

• LEPAGE, FRANCIS;HUBLOT, BERNARD
  作者：LEPAGE, FRANCIS、HUBLOT, BERNARD

  DOI：——

  日期：——
• New N-aryl isoxazolecarboxamides and N-isoxazolylbenzamides as anticonvulsant agents
  作者：F Lepage、F Tombret、G Cuvier、A Marivain、JM Gillardin

  DOI：10.1016/0223-5234(92)90137-p

  日期：1992.9

  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.