4-(4-Fluoroanilino)-1,5-dimethyl-2-phenylpyrazol-3-one | 1505209-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Fluoroanilino)-1,5-dimethyl-2-phenylpyrazol-3-one
• 英文别名: 4-(4-fluoroanilino)-1,5-dimethyl-2-phenylpyrazol-3-one
• CAS: 1505209-39-1
• 化学式: C₁₇H₁₆FN₃O
• 分子量: 297.332
• InChiKey: CVZKYVJUFAIQLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氨基安替比林 、 对氟碘苯 在 噻吩-2-甲酸亚铜(I) 、 sodium t-butanolate 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 以71%的产率得到4-(4-Fluoroanilino)-1,5-dimethyl-2-phenylpyrazol-3-one
  参考文献：
  名称：

  Ligand-free CuTC-catalyzed N -arylation of amides, anilines and 4-aminoantipyrine: synthesis of N -arylacrylamides, 4-amido-N -phenylbenzamides and 4-amino(N -phenyl)antipyrenes

  摘要：

  N‐Arylation of amides and anilines with aryl iodides was efficiently catalyzed by copper thiophenecarboxylate under ligand‐free conditions with good to excellent yields. A variety of substituted aryl iodides, amides, anilines and 4‐aminoantipyrine were found to be applicable to the simple catalytic system. Furthermore, some practical, unique secondary amides, such as N‐arylacrylamides and 4‐amido‐N‐phenylbenzamides, and 4‐amino(N‐phenyl)antipyrenes, which are difficult to obtain by the classical methods, were prepared. Copyright © 2013 John Wiley & Sons, Ltd.

  DOI：

  10.1002/aoc.3080

文献信息

• Ligand-free CuTC-catalyzed <i>N</i> -arylation of amides, anilines and 4-aminoantipyrine: synthesis of <i>N</i> -arylacrylamides, 4-amido-<i>N</i> -phenylbenzamides and 4-amino(<i>N</i> -phenyl)antipyrenes
  作者：Zheng-Jun Quan、Hai-Dong Xia、Zhang Zhang、Yu-Xia Da、Xi-Cun Wang

  DOI：10.1002/aoc.3080

  日期：2014.2

  N‐Arylation of amides and anilines with aryl iodides was efficiently catalyzed by copper thiophenecarboxylate under ligand‐free conditions with good to excellent yields. A variety of substituted aryl iodides, amides, anilines and 4‐aminoantipyrine were found to be applicable to the simple catalytic system. Furthermore, some practical, unique secondary amides, such as N‐arylacrylamides and 4‐amido‐N‐phenylbenzamides, and 4‐amino(N‐phenyl)antipyrenes, which are difficult to obtain by the classical methods, were prepared. Copyright © 2013 John Wiley & Sons, Ltd.