2-[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]-3-sulfophenyl]sulfonylbenzoic acid | 1174574-66-3

• 分子结构分类: 有机化合物
• 英文名称: 2-[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]-3-sulfophenyl]sulfonylbenzoic acid
• CAS: 1174574-66-3
• 化学式: C₃₇H₂₄N₂O₁₃S₃
• 分子量: 800.801
• InChiKey: SKRQWDVEZWDHMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  55
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  272
• 氢给体数：
  4
• 氢受体数：
  14

文献信息

• Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product
  申请人：Murakami Yasuo

  公开号：US20100291360A1

  公开（公告）日：2010-11-18

  The present invention relates to a novel anthrapyridone compound represented by the following formula (1) or a salt thereof: [wherein, R 1 represents a hydrogen atom, an alkyl group or the like, R 2 represents a hydrogen atom or a methoxy group and R 3 represents an unsubstituted or substituted C5-C12 alkyl group, an unsubstituted or substituted aryl group, or an unsubstituted or substituted heteroaryl group, respectively; and with regard to the substitution positions of —SO 2 R 3 and —SO 3 H whose substitution position are not specified and the both of which the benzene ring has thereon, one of their substitution positions is the para-position and the other thereof is the ortho-position to the substitution position of the nitrogen atom by which said benzene ring is substituted], and the compound of the present invention or a salt thereof has a hue which possesses high vividness suitable for inkjet recording, and provides a magenta coloring matter having higher fastnesses on recorded matter and excellent storage stability.

  本发明涉及一种新型蒽吡啶酮化合物，其化学式如下（1），或其盐：[其中，R1代表氢原子、烷基或类似物，R2代表氢原子或甲氧基，R3分别代表未取代或取代的C5-C12烷基、未取代或取代的芳基或未取代或取代的杂芳基；至于没有指定其取代位置的—SO2R3和—SO3H的取代位置，其苯环上有的，它们中的一个取代位置是对位，另一个取代位置是氮原子取代该苯环的取代位置的邻位]，本发明的化合物或其盐具有高鲜艳度的色调，适用于喷墨记录，并提供具有更高牢度和优异储存稳定性的品红色素。
• Ink composition, ink jet recording method using same, and colored material
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US10190009B2

  公开（公告）日：2019-01-29

  An aqueous black ink composition that contains a colorant represented by formula (1) and one or more colorants (B-a) to (B-t). The ink composition is stable even when stored for a long period of time, has a low chroma and tint-free neutral black-to-gray color even when printing a deep color or light color, has a high printed image density, exhibits no change in hue when printed on different media, and produces a black recorded image having particularly excellent recorded image color development properties, light resistance, ozone gas resistance and moisture resistance.

  一种水性黑色油墨组合物，含有由式（1）表示的着色剂和一种或多种着色剂（B-a）至（B-t）。该油墨组合物即使长期储存也很稳定，即使印刷深色或浅色时也具有低色度和无色调的中性黑灰色，印刷图像密度高，在不同介质上印刷时色调不变，生成的黑色记录图像具有特别优异的记录图像显色性、耐光性、耐臭氧气体性和防潮性。
• INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL
  申请人：NIPPON KAYAKU KABUSHIKI KAISHA

  公开号：US20160160065A1

  公开（公告）日：2016-06-09

  An aqueous black ink composition that contains a colorant represented by formula (1) and one or more colorants (B-a) to (B-t). The ink composition is stable even when stored for a long period of time, has a low chroma and tint-free neutral black-to-gray color even when printing a deep color or light color, has a high printed image density, exhibits no change in hue when printed on different media, and produces a black recorded image having particularly excellent recorded image color development properties, light resistance, ozone gas resistance and moisture resistance.
• US7985287B2
  申请人：——

  公开号：US7985287B2

  公开（公告）日：2011-07-26