4-[[4-chloro-6-(4-sulfophenoxy)-1H-1,3,5-triazin-2-ylidene]amino]-6-[[14-methyl-8,15-dioxo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzene-1,3-disulfonic acid | 1030280-87-5

• 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: 4-[[4-chloro-6-(4-sulfophenoxy)-1H-1,3,5-triazin-2-ylidene]amino]-6-[[14-methyl-8,15-dioxo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzene-1,3-disulfonic acid
• CAS: 1030280-87-5
• 化学式: C₃₉H₂₅ClN₆O₁₆S₄
• 分子量: 997.375
• InChiKey: HVLWIEBHRLYWLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  66
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  377
• 氢给体数：
  6
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  4-[[4-chloro-6-(4-sulfophenoxy)-1H-1,3,5-triazin-2-ylidene]amino]-6-[[14-methyl-8,15-dioxo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzene-1,3-disulfonic acid 、 4,4'-二氨基二环己基甲烷 在 sodium hydroxide 、 盐酸 、 sodium chloride 作用下， 以 水 为溶剂， 反应 1.75h， 生成 4-[[14-Methyl-8,15-dioxo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]-6-[[4-[[4-[[4-[[4-[5-[[14-methyl-8,15-dioxo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]-2,4-disulfoanilino]-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]cyclohexyl]methyl]cyclohexyl]amino]-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid
  参考文献：
  名称：

  ANTHRAPYRIDONE COMPOUND, SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE SAME, AND COLORED BODY

  摘要：

  公开号：

  EP2096144B1
• 作为产物：
  描述：

  4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-6-[[14-methyl-8,15-dioxo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzene-1,3-disulfonic acid 、 4-羟基苯磺酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 4-[[4-chloro-6-(4-sulfophenoxy)-1H-1,3,5-triazin-2-ylidene]amino]-6-[[14-methyl-8,15-dioxo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzene-1,3-disulfonic acid
  参考文献：
  名称：

  ANTHRAPYRIDONE COMPOUND, SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE SAME, AND COLORED BODY

  摘要：

  公开号：

  EP2096144B1

文献信息

• ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE SAME, AND COLORED PRODUCT
  申请人：Matsumoto Hiroyuki

  公开号：US20090286051A1

  公开（公告）日：2009-11-19

  The present invention relates to an anthrapyridone compound represented by the following formula (1): [wherein, R represents a hydrogen atom, an alkyl group, a hydroxy lower alkyl group, a cyclohexyl group or a (mono- or di-alkylamino) alkyl group, X represents a cross-linking group represented by the formula: —NH—(CH2) n -NH—  (201) (wherein, n is 2 to 8) and another cross-linking group, respectively] or a salt thereof, an magenta ink composition containing the anthrapyridone compound, and a colored product therewith; said compound has a hue having a high vividness suitable for inkjet recording, a recorded matter therewith has strong fastnesses particularly such as light fastness and ozone fastness, and the ink composition has an excellent storage stability, whereby said compound is useful as a magenta coloring matter suitable for inkjet recording.
• US7678185B2
  申请人：——

  公开号：US7678185B2

  公开（公告）日：2010-03-16