[1-Ethyl-5-[[4-[[4-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)pyridin-3-yl]diazenyl]-3-[[4-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)pyridin-3-yl]diazenyl]-3-methoxyphenyl]-phenylmethyl]-5-methoxyphenyl]-phenylmethyl]-2-methoxyphenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridin-3-yl]methanesulfonic acid | 1430237-76-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: [1-Ethyl-5-[[4-[[4-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)pyridin-3-yl]diazenyl]-3-[[4-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)pyridin-3-yl]diazenyl]-3-methoxyphenyl]-phenylmethyl]-5-methoxyphenyl]-phenylmethyl]-2-methoxyphenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridin-3-yl]methanesulfonic acid
• CAS: 1430237-76-5
• 化学式: C₆₂H₆₅N₉O₁₈S₃
• 分子量: 1320.45
• InChiKey: VLHJWNBCTWYKHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  92
• 可旋转键数：
  24
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  412
• 氢给体数：
  6
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  2,4-Bis[(4-amino-3-methoxyphenyl)-phenylmethyl]-6-methoxyaniline 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 生成 [1-Ethyl-5-[[4-[[4-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)pyridin-3-yl]diazenyl]-3-[[4-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)pyridin-3-yl]diazenyl]-3-methoxyphenyl]-phenylmethyl]-5-methoxyphenyl]-phenylmethyl]-2-methoxyphenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridin-3-yl]methanesulfonic acid
  参考文献：
  名称：

  Trisazo acid dyes based on pyridones

  摘要：

  公开号：

  EP2584007B1