N-(4-(4-chlorophenylcarbamoyl)-1-(pyridin-2-yl)-1H-pyrazol-5-yl)-6-chloropyridine-3-carboxamide | 1023302-02-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-(4-chlorophenylcarbamoyl)-1-(pyridin-2-yl)-1H-pyrazol-5-yl)-6-chloropyridine-3-carboxamide
• 英文别名: 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-2-pyridin-2-ylpyrazol-3-yl]pyridine-3-carboxamide
• CAS: 1023302-02-4
• 化学式: C₂₁H₁₄Cl₂N₆O₂
• 分子量: 453.287
• InChiKey: RUCYRNALWUNKMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(4-(4-chlorophenylcarbamoyl)-1-(pyridin-2-yl)-1H-pyrazol-5-yl)-6-chloropyridine-3-carboxamide 在 4-chlorobenzoyl chloride 作用下， 以 吡啶 为溶剂， 反应 4.0h， 以90%的产率得到6-(6-chloro-3-pyridyl)-4-[(4-chlorophenyl)azamethylene]-1-(2-pyridyl)pyrazolo[5,4-d]1,3-oxazine
  参考文献：
  名称：

  Synthesis and characterization of a novel heterocycle: 1‐Substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐ d ]‐1,3‐oxazine

  摘要：

  Abstractmagnified imageA series of novel heterocycles 1‐aryl‐ or alkyl‐substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐d]‐1,3‐oxazines were synthesized from the acylation of (5‐amino‐1‐substituted‐pyrazol‐4‐yl)‐N‐carboxamide in 63‐89% isolated yields at room temperature within 12 hours. The structure was confirmed by X‐ray crystal analysis.

  DOI：

  10.1002/jhet.5570450211
• 作为产物：
  描述：

  6-(6-chloro-3-pyridyl)-4-[(4-chlorophenyl)azamethylene]-1-(2-pyridyl)pyrazolo[5,4-d]1,3-oxazine 在 盐酸 、 水 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以99%的产率得到N-(4-(4-chlorophenylcarbamoyl)-1-(pyridin-2-yl)-1H-pyrazol-5-yl)-6-chloropyridine-3-carboxamide
  参考文献：
  名称：

  Synthesis and characterization of a novel heterocycle: 1‐Substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐ d ]‐1,3‐oxazine

  摘要：

  Abstractmagnified imageA series of novel heterocycles 1‐aryl‐ or alkyl‐substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐d]‐1,3‐oxazines were synthesized from the acylation of (5‐amino‐1‐substituted‐pyrazol‐4‐yl)‐N‐carboxamide in 63‐89% isolated yields at room temperature within 12 hours. The structure was confirmed by X‐ray crystal analysis.

  DOI：

  10.1002/jhet.5570450211

文献信息

• Synthesis and characterization of a novel heterocycle: 1‐Substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐ <i>d</i> ]‐1,3‐oxazine
  作者：Kunlun He、Guofu Qiu、Xianming Hu、Houjun Lv、Junbo Wang

  DOI：10.1002/jhet.5570450211

  日期：2008.3

  Abstractmagnified imageA series of novel heterocycles 1‐aryl‐ or alkyl‐substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐d]‐1,3‐oxazines were synthesized from the acylation of (5‐amino‐1‐substituted‐pyrazol‐4‐yl)‐N‐carboxamide in 63‐89% isolated yields at room temperature within 12 hours. The structure was confirmed by X‐ray crystal analysis.