N-(3-甲基-1,2-恶唑-5-基)苯甲酰胺 | 66301-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(3-甲基-1,2-恶唑-5-基)苯甲酰胺
• 英文名称: 5-benzoylamino-3-methylisoxazole
• 英文别名: N-(3-methyl-isoxazol-5-yl)-benzamide；N-(3-methylisoxazol-5-yl)benzamide；N-(3-methyl-1,2-oxazol-5-yl)benzamide
• CAS: 66301-99-3
• 化学式: C₁₁H₁₀N₂O₂
• mdl: MFCD12002005
• 分子量: 202.213
• InChiKey: CADOEQYBQMUJRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-甲基-2-苯基-1,3-恶嗪-4-酮 在 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 N-(3-甲基-1,2-恶唑-5-基)苯甲酰胺
  参考文献：
  名称：

  Yamamoto,Y.; Azuma,Y., Heterocycles, 1978, vol. 9, p. 185 - 192

  摘要：

  DOI：

文献信息

• Straightforward transformation of isoxazoles into pyrazoles: renewed and improved
  作者：Sergey I. Sviridov、Andrei A. Vasil'ev、Sergey V. Shorshnev

  DOI：10.1016/j.tet.2007.09.046

  日期：2007.12

  or carbamoyl groups were transformed into the corresponding pyrazoles in high yields by the treatment with hydrazine in methanol in the presence of a hydrogenation catalyst, e.g., Raney nickel, at ambient temperature. For the synthesis of N-substituted pyrazoles, hydrogenolysis of isoxazole followed by the treatment with substituted hydrazine was required. 3(5)-Aryl- or acylamido-substituted isoxazoles

  通过在环境温度下在氢化催化剂例如阮内镍的存在下用肼在甲醇中处理，将具有烷基或氨基甲酰基的异恶唑高产率地转化成相应的吡唑。为了合成N-取代的吡唑，需要将异恶唑氢解，然后用取代的肼处理。3（5）-芳基或酰基酰胺基取代的异恶唑不太适合这种转化。
• Radical Cyclization and 1,5-Hydrogen Transfer in Selected Aromatic Diazonium Salts
  作者：Giuseppe Daidone、Benedetta Maggio、Gianfranco Fontana、Demetrio Raffa、Francesco Ferrante

  DOI：10.3987/com-13-12863

  日期：——

  2-(Methyl-(3-methyl-1-phenyl-1H-pyrazol-5-yl)carbamoy)thiophene-3-diazonium hydrogen sulfate 20, 2-(methyl-(3-methylisoxazol-5-yl)carbamoyl)benzenediazonium hydrogen sulfate 21 and 2-(methyl(phenyl)carbamoyl)benzenediazonium hydrogen sulphate 22 were synthesized and reacted with a CuSO4/NaCl/ascorbic acid combination to give complex mixtures. The structures of the reaction products were elucidated, depending upon the pathways followed. Compound 20 almost exclusively afforded an Ar-5 cyclization product and trace amounts of the product derived from a competing Ar-6 Pschorr closure. In the case of compound 21, the Ar-6 cyclization was not observed, while the Ar-5 cyclization and 1,5-hydrogen radical transfer processes equally occurred. Finally, the Ar-6 cyclization was observed as the main process for compound 22, accompanied by the Ar-5 cyclization and, in a much lesser extent, by an 1,5-hydrogen radical transfer process.
• YAMAMOTO Y.; AZUMA Y., HETEROCYCLES, 1978, 9, NO 2, 185-192
  作者：YAMAMOTO Y.、 AZUMA Y.

  DOI：——

  日期：——
• Yamamoto,Y.; Azuma,Y., Heterocycles, 1978, vol. 9, p. 185 - 192
  作者：Yamamoto,Y.、Azuma,Y.

  DOI：——

  日期：——