1-pentyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridin-3-carbonitril

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-pentyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridin-3-carbonitril
• 英文别名: 4-methyl-2,6-dioxo-1-pentyl-3H-pyridine-5-carbonitrile
• 化学式: C₁₂H₁₆N₂O₂
• 分子量: 220.271
• InChiKey: BWZJYEHESIOHDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-pentyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridin-3-carbonitril 、 1,1,3,3-四甲氧基丙烷 在 potassium acetate 作用下， 以 正丁醇 为溶剂， 反应 4.5h， 以91%的产率得到potassium 5-cyano-3-(3-(5-cyano-4-methyl-2,6-dioxo-1-pentyl-1,6-dihydropyridin-3(2H)-ylidene)prop-1-en-1-yl)-4-methyl-6-oxo-1-pentyl-1,6-dihydropyridin-2-olate
  参考文献：
  名称：

  WO2007/23112

  摘要：

  公开号：

文献信息

• COLORANT COMPOSITIONS CONTAINING AN OXONOL DYE
  申请人：Ciba Holding Inc.

  公开号：EP1917312B1

  公开（公告）日：2009-04-29
• Colorant compositions containing an oxonol dye
  申请人：Feiler Leonhard

  公开号：US20090130400A1

  公开（公告）日：2009-05-21

  The present invention relates to a colorant composition comprising (i) an oxonol dye of general formula (I) wherein R 1 and R 2 are each independently of the other linear or branched C 2 -C 6 alkyl residues; R 3 , R 4 and R 5 are each independently of the other hydrogen, a C 2 -C 14 alkyl residue which may be unsubstituted or hydroxy- or amino-substituted and optionally interrupted by an oxygen atom and R 6 is a C 2 -C 14 alkyl residue, which may be unsubstituted or hydroxy- or amino-substituted and optionally interrupted by an oxygen atom; and (ii) at least one cellulose nitrate binder.
• Colorant Compositions Containing an Oxonol Dye
  申请人：Feiler Leonhard

  公开号：US20120022261A1

  公开（公告）日：2012-01-26

  The present invention relates to an oxonol dye of formula (I) wherein R 1 and R 2 are each independently of the other linear or branched C 2 -C 6 alkyl residues; R 3 , R 4 and R 5 are each independently of the other hydrogen, a C 2 -C 14 alkyl residue which may be unsubstituted or hydroxy- or amino-substituted and optionally interrupted by an oxygen atom and R 6 is a C 2 -C 14 alkyl residue, which may be unsubstituted or hydroxy- or amino-substituted and optionally interrupted by an oxygen atom.