5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-N-(2,2,2-trichloro-1-hydroxyethyl)oxazole-4-carboxamide | 1266376-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-N-(2,2,2-trichloro-1-hydroxyethyl)oxazole-4-carboxamide
• CAS: 1266376-15-1
• 化学式: C₁₇H₁₅Cl₃N₄O₃
• 分子量: 429.69
• InChiKey: BHQOJHAOCQEBAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  93.18
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-N-(2,2,2-trichloro-1-hydroxyethyl)oxazole-4-carboxamide 在 氯化亚砜 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 苯 为溶剂， 反应 40.17h， 生成 5'-(3,5-dimethyl-1H-pyrazol-1-yl)-5-morpholino-2'-phenyl-[2,4'-bioxazole]-4-carbonitrile
  参考文献：
  名称：

  Synthesis and transformations of derivatives of 2-aryl-5-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-oxazole-4-carboxylic acid

  摘要：

  On the basis of methyl esters of 2-aryl-5-hydrazino-1,3-oxazole-4-carboxylic acids the earlier unknown methyl esters of 2-aryl-5-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-oxazole-4-carboxylic acids as well as their functional derivatives were synthesized. The latter were used for further transformations, in particular, for introducing the residues of highly basic aliphatic amines into the 5 position of oxazole, and the oxazol-2-yl moiety into the 4 position of the oxazole ring.

  DOI：

  10.1134/s1070363210110216
• 作为产物：
  描述：

  5-(3,5-Dimethylpyrazol-1-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid 在 ammonium hydroxide 、 氯化亚砜 、 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 32.0h， 生成 5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-N-(2,2,2-trichloro-1-hydroxyethyl)oxazole-4-carboxamide
  参考文献：
  名称：

  Synthesis and transformations of derivatives of 2-aryl-5-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-oxazole-4-carboxylic acid

  摘要：

  On the basis of methyl esters of 2-aryl-5-hydrazino-1,3-oxazole-4-carboxylic acids the earlier unknown methyl esters of 2-aryl-5-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-oxazole-4-carboxylic acids as well as their functional derivatives were synthesized. The latter were used for further transformations, in particular, for introducing the residues of highly basic aliphatic amines into the 5 position of oxazole, and the oxazol-2-yl moiety into the 4 position of the oxazole ring.

  DOI：

  10.1134/s1070363210110216