tetrakis[4-[(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenyl]methane | 666235-02-5

• 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: tetrakis[4-[(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenyl]methane
• 英文别名: tetrakis[4[(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenyl]methane；4,6-dichloro-N-[4-[tris[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]methyl]phenyl]-1,3,5-triazin-2-amine
• CAS: 666235-02-5
• 化学式: C₃₇H₂₀Cl₈N₁₆
• 分子量: 972.297
• InChiKey: QXHXBANROCPQBN-UHFFFAOYSA-N

物化性质

• 熔点：
  >310 °C
• 沸点：
  1139.9±75.0 °C(Predicted)
• 密度：
  1.692±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  61
• 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：
  203
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  tetrakis[4-[(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenyl]methane 在 ammonium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以94%的产率得到tetrakis[4-[[4-amino-2-chloro-1,3,5-triazin-6-yl]amino]phenyl]methane
  参考文献：
  名称：

  Fur, Erwan Le; Demers, Eric; Maris, Thierry, Chemical Communications, 2003, # 24, p. 2966 - 2967

  摘要：

  DOI：
• 作为产物：
  描述：

  1-硝基-4-[三(4-硝基苯基)甲基]苯 以 四氢呋喃 、 丙酮 为溶剂， 反应 1.0h， 生成 tetrakis[4-[(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenyl]methane
  参考文献：
  名称：

  Fur, Erwan Le; Demers, Eric; Maris, Thierry, Chemical Communications, 2003, # 24, p. 2966 - 2967

  摘要：

  DOI：

文献信息

• ALKYLATED TETRAKIS(TRIAMINOTRIAZINE) COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME
  申请人：Xerox Corporation

  公开号：US20040050295A1

  公开（公告）日：2004-03-18

  Disclosed are compounds of the formulae 1 wherein, provided that at least one of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 is a hydrogen atom, and provided that at least one of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 is not a hydrogen atom, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 each, independently of the others, is (i) a hydrogen atom, (ii) an alkyl group, (iii) an aryl group, (iv) an arylalkyl group, or (v) an alkylaryl group. Also disclosed are phase change ink compositions comprising a colorant and a phase change ink carrier comprising a material of this formula.

  揭示的是以下化合物的结构式，其中，假设至少有一个R1、R2、R3、R4、R5和R6是氢原子，并且假设至少有一个R1、R2、R3、R4、R5和R6不是氢原子，R1、R2、R3、R4、R5和R6中的每一个，独立于其他者，是（i）氢原子，（ii）烷基基团，（iii）芳基团，（iv）芳基烷基团，或（v）烷基芳基团。还揭示了包括颜料和相变墨水载体的相变墨水组合物，其中相变墨水载体包括这种结构的材料。
• Alkylated tetrakis(triaminotriazine) compounds and phase change inks containing same
  申请人：Xerox Corporation

  公开号：US20040158063A1

  公开（公告）日：2004-08-12

  Disclosed are compounds of the formulae 1 wherein, provided that at least one of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 is a hydrogen atom, and provided that at least one of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 is not a hydrogen atom, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 each, independently of the others, is (i) a hydrogen atom, (ii) an alkyl group, (iii) an aryl group, (iv) an arylalkyl group, or (v) an alkylaryl group. Also disclosed are phase change ink compositions comprising a colorant and a phase change ink carrier comprising a material of this formula.

  本发明涉及以下化合物的公式1，其中，假设R1，R2，R3，R4，R5和R6中至少有一个是氢原子，并且假设R1，R2，R3，R4，R5和R6中至少有一个不是氢原子，则R1，R2，R3，R4，R5和R6各自独立地是（i）氢原子，（ii）烷基，（iii）芳基，（iv）芳基烷基，或（v）烷基芳基。本发明还涉及包含此类物质的相变墨水组合物，其中包括着色剂和相变墨水载体。
• Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products
  作者：Philippe Brunet、Eric Demers、Thierry Maris、Gary D. Enright、James D. Wuest

  DOI：10.1002/anie.200352252

  日期：2003.11.10
• Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids
  作者：Danielle Boils、Marie-Ève Perron、Francis Monchamp、Hugues Duval、Thierry Maris、James D. Wuest

  DOI：10.1021/ma035977d

  日期：2004.9.1

  An effective strategy for making new ordered molecular materials by design is to build them from subunits that associate with their neighbors and thereby hold them in predetermined positions. Such tectons can be made by attaching multiple peripheral sites of association to geometrically suitable cores. In tectons 3-5, for example, simple triaminotriazine groups grafted to a nominally tetrahedral tetraphenylmethyl core form intermolecular hydrogen bonds according to reliable motifs, and crystallization thereby leads to the formation of porous three-dimensional networks. Functionalization of the triaminotriazine groups with alkyl chains gives rise to amorphous tectons, and the increase of the chain length lowers the glass transition temperatures of these materials, allowing their association in the melt to be studied by rheological methods. The rheological properties depend in a characteristic way on the length of the alkyl substituents. In particular, viscosity and T-g both decrease with increasing length of the alkyl chains in the series of tectons 7-10, suggesting that intertectonic hydrogen bonding is increasingly diminished by the steric effects of the substituents. In this way, formation of extended hydrogen-bonded networks becomes gradually unfavorable, and mobility and fluidity are enhanced. For these reasons, melts derived from tectons 7-10 do not behave like conventional linear polymers or dendrimers, but rather form a novel class of materials with unique properties of their own.
• US6761758B2
  申请人：——

  公开号：US6761758B2

  公开（公告）日：2004-07-13