4-[[4-(4-羧基苯胺基)-6-氯-1,3,5-三嗪-2-基]氨基]苯甲酸 | 61981-57-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[[4-(4-羧基苯胺基)-6-氯-1,3,5-三嗪-2-基]氨基]苯甲酸
• 英文名称: 4,4'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]dibenzoic acid
• 英文别名: 2-chloro-4,6-(4-carboxyanilino)-1,3,5-triazine；4,4'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis-benzoic acid；4,4-[(6-chloro-1,3,5-triazine,2,4-diyl)diimino]bis-benzoic acid；4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]benzoic acid
• CAS: 61981-57-5
• 化学式: C₁₇H₁₂ClN₅O₄
• 分子量: 385.766
• InChiKey: YKEUMKVSAHEXGQ-UHFFFAOYSA-N

物化性质

• 熔点：
  >330 °C (decomp)(Solv: isopropanol (67-63-0))
• 沸点：
  704.6±70.0 °C(Predicted)
• 密度：
  1.619±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-[[4-(4-羧基苯胺基)-6-氯-1,3,5-三嗪-2-基]氨基]苯甲酸 在 氨 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4,4'-((6-(benzylideneamino)-1,3,5-triazine-2,4-diyl)bis(azanediyl))dibenzoic acid
  参考文献：
  名称：

  Kamdar; Chavda; Parikh, Journal of the Indian Chemical Society, 1987, vol. 64, # 5, p. 298 - 301

  摘要：

  DOI：
• 作为产物：
  描述：

  三聚氯氰 、 聚甘氨酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 以84%的产率得到4-[[4-(4-羧基苯胺基)-6-氯-1,3,5-三嗪-2-基]氨基]苯甲酸
  参考文献：
  名称：

  Facile and efficient synthesis of C2-symmetrical 1,3,5-triazine polycarboxylate ligands under microwave irradiation

  摘要：

  A rapid and efficient method for preparation of C-2-symmetrical 1,3,5-triazine polycarboxylate ligands was developed. The reactions included either selective mono- or di-substitution of 2,4,6-trichloro-1,3,5-triazine with various nucleophiles containing carboxyl group(s), followed by nucleophilic displacement of the remained chloride(s) in aqueous media under microwave irradiation. Novel C-2-symmetrical tripodal ligands were afforded in good yields and purities under short reaction time with simple work-up, which are potentially useful as structural directing units in metal-organic frameworks. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.06.127

文献信息

• An efficient, “green” approach to aryl amination of cyanuric chloride using acetic acid as solvent
  作者：Kirill A. Kolmakov

  DOI：10.1002/jhet.5570450236

  日期：2008.3

  Acetic acid is an inexpensive and environmentally friendly solvent for facile, clean and high-yielding aryl amination of cyanuric chloride with aromatic amines, including nitroanilines. Aryl amination in acetic acid medium and isolation protocol are greatly simplified as compared to previously reported procedures. Under proper conditions, it is possible to attach the same or different aniline residues

  乙酸是一种廉价，环保的溶剂，可用于氰尿酰氯与包括硝基苯胺在内的芳香胺的简便，清洁和高收率的芳基胺化。与以前报道的方法相比，大大简化了乙酸介质中的芳基胺化反应和分离步骤。在适当条件下，可以以受控方式连接相同或不同的苯胺残基，从而分别以优异的产率获得对称和不对称的1,3,5-三嗪衍生物。
• Complexes of iron(III) and chromium(III) salen and salophen Schiff bases with bridging 1,3,5-triazine derived multidirectional ligands
  作者：Ziya Erdem Koç

  DOI：10.1002/jhet.577

  日期：2011.7

  A new synthetic route for preparing multidirectional ligands was developed by using 2,4,6‐trichloro‐1,3,5‐triazine (cyanuric chloride) as core. The reaction included the selective substitutions of 4‐aminobenzoic acid onto three chlorides of the triazine ring via a stepwise manner at 1:1, 1:2, or 1:3 equiv. and 0, 25, 130°C, respectively. An efficient synthesis of a novel class of “multidirectional

  以2,4,6-三氯-1,3,5-三嗪（氰尿酰氯）为核心，开发了一种制备多向配体的新合成途径。反应包括以1：1、1：2或1：3当量的逐步方式将4-氨基苯甲酸选择性取代到三嗪环的三个氯化物上。分别为0、25、130°C。基于胺对2,4,6-三氯-1,3,5-三嗪的高产氯化物取代，已经开发了新型“多向配体”的有效合成方法。16种新的单核，二核，三核和四核Fe（III）和Cr（III）配合物，涉及四齿Schiff碱N，N'-双（水杨基）亚乙基二胺-（salenH 2）或双（水杨基）-邻苯二胺（salophenH 2）合成了两个新的1,3,5-三嗪衍生的多向配体，并通过元素分析，1 H NMR，FT-IR光谱，LC-MS分析，AAS，热分析和磁化率测量进行了表征。该配合物的特征还在于低旋转畸变的八面体Fe（III）和Cr（III），由羧酸桥接。据了解，[的Fe（沙仑）/（salophen）} 2
• Chromonic nanoparticles containing bioactive compounds
  申请人：Mohanty Sanat

  公开号：US20070086965A1

  公开（公告）日：2007-04-19

  A chromonic nanoparticle mixture prepared by combining (i) a continuous water-soluble polymer phase and (ii) a discontinuous chromonic phase comprising a chromonic material; and non-covalently crosslinking the resulting chromonic nanoparticles with a polyvalent cation salt.

  通过将（i）连续的水溶性聚合物相和（ii）包含色相材料的不连续色相相结合制备的色相纳米颗粒混合物；并且用多价阳离子盐非共价交联所得的色相纳米颗粒。
• Anisotropic retardation layers for display devices
  申请人：3M Innovative Properties Company

  公开号：US05948487A1

  公开（公告）日：1999-09-07

  A composition that includes the following compounds: ##STR1## wherein R.sup.1, which may be the same or different, is a hydrophilic group; R.sup.2, which may the same or different, is selected from the group consisting of electron donating groups, electron withdrawing groups, and electron neutral groups; R.sup.3 is a positively charged heteroaromatic ring linked to the triazine backbone through a nitrogen atom in the R.sup.3 ring; and X.sup.- is a counterion. If R.sup.3 is an unsubstituted pyridine, the counterion X.sup.- may be selected from any counterion other than Cl.sup.- and OH.sup.-. Otherwise, the counterion X.sup.- may be selected from any counterion. The compound may be applied to a substrate to form a birefringent optical retardation device. The retardation device may be used in display devices such as computers and the like to correct the phase and polarization states of the display's emitted light and improve image quality at viewing angles away from the normal.

  一种包括以下化合物的组合物：##STR1## 其中R.sup.1，可以相同也可以不同，是一个亲水基团；R.sup.2，可以相同也可以不同，选自包括供电子基团、吸电子基团和中性电子基团的群体；R.sup.3是一个带正电的杂环芳香环，通过R.sup.3环中的一个氮原子与三嗪骨架相连；X.sup.-是一个对离子。如果R.sup.3是未取代的吡啶，则对离子X.sup.-可以选自除Cl.sup.-和OH.sup.-之外的任何对离子。否则，对离子X.sup.-可以选自任何对离子。该化合物可以应用于基底上形成双折射光学延迟装置。延迟装置可用于显示设备，如计算机等，以校正显示发出的光的相位和偏振状态，并改善在远离法线的观看角度下的图像质量。
• Method and Apparatus for Forming Chromonic Nanoparticles
  申请人：Tokie H. Jeffrey

  公开号：US20070128291A1

  公开（公告）日：2007-06-07

  A method and apparatus for forming guest molecules encapsulated with chromonic material are described. The method includes atomizing a solution to form a pre-atomized particle stream. The solution includes chromonic material, a guest molecule and a carrier fluid. Then, atomizing the pre-atomized particle stream to form an atomized particle stream; evaporating at least a portion of the carrier fluid from the atomized particle stream to form a dried atomized particle stream, and forming encapsulated guest molecules from the dried atomized particle stream.

  本发明涉及一种形成以色素物质封装的客体分子的方法和装置。该方法包括将溶液雾化以形成预雾化的颗粒流。该溶液包括色素物质、客体分子和载体流体。然后，将预雾化的颗粒流雾化以形成雾化的颗粒流；从雾化的颗粒流中蒸发至少一部分载体流体以形成干燥的雾化颗粒流，并从干燥的雾化颗粒流中形成封装的客体分子。