2,4,6-tris{3-oxo-3-[2,4,6-tris(hydroxyphenyl)]prop-1-en-1-ylamino}-1,3,5-triazine | 960048-69-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4,6-tris{3-oxo-3-[2,4,6-tris(hydroxyphenyl)]prop-1-en-1-ylamino}-1,3,5-triazine
• CAS: 960048-69-5
• 化学式: C₃₀H₂₄N₆O₁₂
• 分子量: 660.554
• InChiKey: QUNVELAZCDIXKK-KMXYAYIMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  48.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  308.04
• 氢给体数：
  12.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  2,4,6-tris{3-oxo-3-[2,4,6-tris(hydroxyphenyl)]prop-1-en-1-ylamino}-1,3,5-triazine 、 十一烷酰氯 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Molecular structure and mesomorphism in the series of discotic esters derived from benzene, triazine, biphenyl, and triphenylene

  摘要：

  New mesoyenic discotic triazine-based esters were synthesized and shown to form a low-temperature monotropic columnar mesophase. Using as examples the newly synthesized compounds and previously prepared discotic esters on the basis of benzene, biphenyl, and triphenylene, the effects of the nature and size of the central fragment and the number, position, length, and rigidity of peripheral substituents therein on the mesomorphic properties (in particular, the ability to form columnar and nematic mesophases) were examined. The main structural factors stabilizing columnar and nematic mesophases were revealed. Nematic mesomorphism was shown to be favored by increased size of the central fragment of the discogen molecule and by the presence of cyclohexane fragments in peripheral substituents.

  DOI：

  10.1134/s1070363207010148
• 作为产物：
  描述：

  三聚氰胺 、 2,4,6-三羟基苯乙酮一水合物 、 甲酸乙酯 在 sodium 、 溶剂黄146 作用下， 以 乙醚 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.33h， 以0.5 g的产率得到2,4,6-tris{3-oxo-3-[2,4,6-tris(hydroxyphenyl)]prop-1-en-1-ylamino}-1,3,5-triazine
  参考文献：
  名称：

  Molecular structure and mesomorphism in the series of discotic esters derived from benzene, triazine, biphenyl, and triphenylene

  摘要：

  New mesoyenic discotic triazine-based esters were synthesized and shown to form a low-temperature monotropic columnar mesophase. Using as examples the newly synthesized compounds and previously prepared discotic esters on the basis of benzene, biphenyl, and triphenylene, the effects of the nature and size of the central fragment and the number, position, length, and rigidity of peripheral substituents therein on the mesomorphic properties (in particular, the ability to form columnar and nematic mesophases) were examined. The main structural factors stabilizing columnar and nematic mesophases were revealed. Nematic mesomorphism was shown to be favored by increased size of the central fragment of the discogen molecule and by the presence of cyclohexane fragments in peripheral substituents.

  DOI：

  10.1134/s1070363207010148