ethyl 2-methyl-4-(2-chlorophenyl)-5-cyano-6-(dicyanomethylidene)-1,6-dihydropyridine-3-carboxylate | 1427069-20-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl 2-methyl-4-(2-chlorophenyl)-5-cyano-6-(dicyanomethylidene)-1,6-dihydropyridine-3-carboxylate
• 英文别名: Ethyl 4-(2-chlorophenyl)-5-cyano-6-(dicyanomethylene)-2-methyl-1,6-dihydro-3-pyridinecarboxylate；ethyl 4-(2-chlorophenyl)-5-cyano-6-(dicyanomethylidene)-2-methyl-1H-pyridine-3-carboxylate
• CAS: 1427069-20-2
• 化学式: C₁₉H₁₃ClN₄O₂
• mdl: MFCD26098524
• 分子量: 364.791
• InChiKey: STCRVKDPSOGLDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-amino-4-(2-chlorophenyl)buta-1,3-diene-1,1,3-tricarbonitrile 、 乙酰乙酸乙酯 在 sodium nitrite 作用下， 以 乙醇 为溶剂， 以67%的产率得到ethyl 2-methyl-4-(2-chlorophenyl)-5-cyano-6-(dicyanomethylidene)-1,6-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  One-pot synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives

  摘要：

  The synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives from the reactions of arylmethylidene derivatives of malononitrile dimers with 1,3-dicarbonyl compounds is described. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.056

文献信息

• Three-Component Synthesis and Optical Properties of Nicotinic Acid Esters Containing Buta-1,3-dien-1,1,3-tricarbonitrile Fragment
  作者：I. N. Bardasov、A. Yu. Alekseeva、S. S. Chunikhin、O. V. Ershov

  DOI：10.1134/s1070428018080079

  日期：2018.8

  6-dihydropyridine-3-carboxylates was developed consisting in the reaction of acetoacetic ester, aromatic aldehydes, and malononitrile dimer in the presence of sodium nitrite. Optical properties of synthesized compounds were investigated and it was demonstrated that they possessed intensive fluorescence in solution and in solid state with emission maxima in the yellow and green region of the visible light

  通过乙酰乙酸酯，芳族醛和丙二腈二聚体的反应，开发了4-芳基-2-甲基-2-氰基-5-氰基-6-（二氰基亚甲基）-1,6-二氢吡啶-3-羧酸乙酯的三组分合成方法。亚硝酸钠的存在。对合成化合物的光学性质进行了研究，结果表明它们在溶液和固态下均具有强烈的荧光，并且在可见光的黄色和绿色区域具有最大的发射。
• One-pot synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives
  作者：Ivan N. Bardasov、Anastasiya U. Alekseeva、Denis L. Mihailov、Oleg V. Ershov、Oleg E. Nasakin、Viktor A. Tafeenko

  DOI：10.1016/j.tetlet.2014.03.056

  日期：2014.4

  The synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives from the reactions of arylmethylidene derivatives of malononitrile dimers with 1,3-dicarbonyl compounds is described. (C) 2014 Elsevier Ltd. All rights reserved.