13-hydroxy-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile | 34940-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 13-hydroxy-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
• 英文别名: 1-hydroxy-3-methylpyrido<1,2-a>benzimidazole-4-carbonitrile；3-methyl-1-oxo-1,5-dihydro-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
• CAS: 34940-35-7
• 化学式: C₁₃H₉N₃O
• 分子量: 223.234
• InChiKey: NOGFQYQQGBWCRF-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  61.32
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  13-hydroxy-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile 在 potassium carbonate 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.75h， 生成 2-carbethoxy-4-methylfuro<3',2':5,6>pyrido<1,2-a>benzimidazole-5-carbonitrile
  参考文献：
  名称：

  Rajadhyaksha, D. D.; Rangnekar, D. W., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 143 - 145

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氰甲基苯并咪唑 、 乙酰乙酸乙酯 在 sodium methylate 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 生成 13-hydroxy-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
  参考文献：
  名称：

  TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATTER

  摘要：

  公开号：

  EP1975205B1

文献信息

• Ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus
  申请人：Canon Kabushiki Kaisha

  公开号：EP2011841A2

  公开（公告）日：2009-01-07

  Provided is a black ink which provides an image with excellent color tone, little color tone change after a light fastness test and excellent balance of color tone change and light fastness. The black ink further provides an image with a gradation property having a color tone close to a neutral color tone even before and after a light fastness test. The ink contains at least a compound represented by the general formula (I) as a first coloring material, a compound represented by the general formula (II) as a second coloring material and a compound represented by the general formula (III) as a third coloring material.

  本发明提供了一种黑色墨水，它能提供色调极佳、耐光性测试后色调变化极小、色调变化和耐光性平衡极佳的图像。该黑色墨水还能进一步提供具有色阶特性的图像，即使在耐光色牢度测试前后，其色调也接近中性色调。该墨水至少含有通式（I）代表的化合物作为第一着色材料，通式（II）代表的化合物作为第二着色材料，通式（III）代表的化合物作为第三着色材料。
• Ink jet ink, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus
  申请人：Canon Kabushiki Kaisha

  公开号：EP2103658A1

  公开（公告）日：2009-09-23

  The present invention provides an ink jet ink, which gives a superior lightfastness to an ink image, has a superior sticking resistance and intermittent ejection stability, and gives a preferable color tone to the image. The ink includes an azo-based dye represented by formula (I) and a water-soluble organic solvent represented by bis(2-hydroxyethyl)sulfone represented by formula (II).

  本发明提供了一种喷墨墨水，它能使墨水图像具有优异的耐光性，具有优异的抗粘连性和间歇喷射稳定性，并能使图像具有较好的色调。该墨水包括一种由式（I）表示的偶氮染料和一种由式（II）表示的双（2-羟乙基）砜表示的水溶性有机溶剂。
• Aqueous ink, ink cartridge, and ink jet recording method
  申请人：CANON KABUSHIKI KAISHA

  公开号：US10240053B2

  公开（公告）日：2019-03-26

  An aqueous ink for ink jet having a high color developing property, capable of recording an image having an excellent hue, and having excellent storage stability, containing a coloring material and a water-soluble organic solvent is provided. The coloring material is a compound represented by the following General Formula (1). The water-soluble organic solvent contains a first water-soluble organic solvent having two or more hydroxy groups and having a Log P value of −1.88 or more to −1.09 or less. The content (mass %) of the first water-soluble organic solvent is 5.0 times or more to 30.0 times or less by a mass ratio with respect the content (mass %) of the coloring material.

  本发明提供了一种喷墨用水性墨水，它具有很高的显色性，能够记录色调极佳的图像，并具有极佳的储存稳定性，其中含有一种着色材料和一种水溶性有机溶剂。着色材料是由下式（1）表示的化合物。水溶性有机溶剂含有第一种水溶性有机溶剂，该有机溶剂具有两个或两个以上的羟基，其 Log P 值为-1.88 或以上至-1.09 或以下。第一水溶性有机溶剂的含量（质量百分比）为着色材料含量（质量百分比）质量比的 5.0 倍或以上至 30.0 倍或以下。
• Ink, ink cartridge and ink jet recording method
  申请人：Canon Kabushiki Kaisha

  公开号：EP2674462B1

  公开（公告）日：2016-12-14
• MUSTROPH, HEINZ;TSCHUNARJEW, MIRKO
  作者：MUSTROPH, HEINZ、TSCHUNARJEW, MIRKO

  DOI：——

  日期：——