3-(4'-pentylbiphenyl-4-yl)isoxazol-5(4H)-one | 1279198-73-0

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 3-(4'-pentylbiphenyl-4-yl)isoxazol-5(4H)-one
• 英文别名: 3-(4'-Pentylbiphenyl-4-yl)isoxazol-5(4h)-one；3-[4-(4-pentylphenyl)phenyl]-4H-1,2-oxazol-5-one
• CAS: 1279198-73-0
• 化学式: C₂₀H₂₁NO₂
• 分子量: 307.392
• InChiKey: SKCQKWBGQZNRHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-戊基联苯-4’-羧酸 在 氯化亚砜 、 盐酸羟胺 、 氨 、 sodium acetate 、 magnesium ethylate 、 氯化铵 作用下， 以 四氢呋喃 、 四氯化碳 、 乙醇 、 水 为溶剂， 反应 27.0h， 生成 3-(4'-pentylbiphenyl-4-yl)isoxazol-5(4H)-one
  参考文献：
  名称：

  Synthesis of new mesogens of the 3-arylisoxazolone and 3-arylpyrazolone series

  摘要：

  Acylation of ethyl acetoacetate with mesogenic para-substituted benzoyl chlorides, followed by cleavage of ethyl aroylacetoacetates thus obtained under basic conditions, gave the corresponding ethyl 3-aryl-3-oxopropanoates which were brought into condensations with hydroxylamine and hydrazine to obtain mesogenic 3-arylisoxazolones and 3-arylpyrazolones, respectively.

  DOI：

  10.1134/s1070428010120067

文献信息

• Synthesis of new mesogens of the 3-arylisoxazolone and 3-arylpyrazolone series
  作者：V. N. Kovganko、N. N. Kovganko、M. A. Polovkov

  DOI：10.1134/s1070428010120067

  日期：2010.12

  Acylation of ethyl acetoacetate with mesogenic para-substituted benzoyl chlorides, followed by cleavage of ethyl aroylacetoacetates thus obtained under basic conditions, gave the corresponding ethyl 3-aryl-3-oxopropanoates which were brought into condensations with hydroxylamine and hydrazine to obtain mesogenic 3-arylisoxazolones and 3-arylpyrazolones, respectively.