(2E)-2-(2-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-(pyridin-2-yl)-pyrimidin-4(3H)-ylidene)acetonitrile | 1417815-74-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2E)-2-(2-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-(pyridin-2-yl)-pyrimidin-4(3H)-ylidene)acetonitrile
• 英文别名: (2E)-2-[2-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-ylpyrimidin-4-ylidene]acetonitrile
• CAS: 1417815-74-7
• 化学式: C₂₄H₁₇ClN₄O
• 分子量: 412.878
• InChiKey: BIAVENYQIZOEKA-DEDYPNTBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  61.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对氯苯甲腈 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (2E)-2-(2-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-(pyridin-2-yl)-pyrimidin-4(3H)-ylidene)acetonitrile
  参考文献：
  名称：

  A convenient regioselective synthesis of (2E)-2-[2,3,6-triarylpyrimidin-4(3H)-ylidene]acetonitriles through ring transformation reactions

  摘要：

  We report a greener, economical, highly convenient and regioselective synthesis of (2E)-2-[2,3,6-arylpyrimidin-4(3H)-ylidene)acetonitriles derivatives 3. This is achieved by a strategy involving ring transformation reaction of 4-(methylthio)-2-oxo-6-aryl-2H-pyran-3-carbonitrile 1 with N-arylbenzamidine or N-arylpicolinamidine 2 in the presence of KOH/DMF catalyst at room temperature. This approach provides a one-pot approach for the synthesis of symmetrical, unsymmetrical and heteroaryl pyrimidin-4(3H)-ylidene)acetonitriles derivatives 3.[GRAPHICS](C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.044

文献信息

• A convenient regioselective synthesis of (2E)-2-[2,3,6-triarylpyrimidin-4(3H)-ylidene]acetonitriles through ring transformation reactions
  作者：Umesh D. Patil、Pramod P. Mahulikar

  DOI：10.1016/j.tetlet.2012.11.044

  日期：2013.1

  We report a greener, economical, highly convenient and regioselective synthesis of (2E)-2-[2,3,6-arylpyrimidin-4(3H)-ylidene)acetonitriles derivatives 3. This is achieved by a strategy involving ring transformation reaction of 4-(methylthio)-2-oxo-6-aryl-2H-pyran-3-carbonitrile 1 with N-arylbenzamidine or N-arylpicolinamidine 2 in the presence of KOH/DMF catalyst at room temperature. This approach provides a one-pot approach for the synthesis of symmetrical, unsymmetrical and heteroaryl pyrimidin-4(3H)-ylidene)acetonitriles derivatives 3.[GRAPHICS](C) 2012 Elsevier Ltd. All rights reserved.