4-(6-(4-(Acetyloxy)phenyl)-1,2,4,5-tetraazin-3-yl)phenyl acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-(6-(4-(Acetyloxy)phenyl)-1,2,4,5-tetraazin-3-yl)phenyl acetate
• 英文别名: [4-[6-(4-acetyloxyphenyl)-1,2,4,5-tetrazin-3-yl]phenyl] acetate
• 化学式: C₁₈H₁₄N₄O₄
• 分子量: 350.334
• InChiKey: TYKODHCBDTYDJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-[6-(4-Hydroxyphenyl)-1,2-dihydro-1,2,4,5-tetrazin-3-yl]phenol 在 吡啶 、 溶剂黄146 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 4-(6-(4-(Acetyloxy)phenyl)-1,2,4,5-tetraazin-3-yl)phenyl acetate
  参考文献：
  名称：

  Mesogenic 3,6-bis(4-hydroxyphenyl)-1,2,4,5-tetrazine alkanoate esters

  摘要：

  A novel series of 3,6-bis(4-hdroxyphenyl)-1,2,4,5-tetrazine alkanoate esters were synthesized and their mesogenic properties were studied using differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). The impact of changing the tail-core linkage from alkyl or alkoxy to ester is profound. Compared to the alkyl or alkoxy linkages, the ester linkage reduced mesogenic properties. Short-tailed compounds are non mesogenic (4a-4e), while long-tailed compounds (4f-4r) exhibit nematic phases. Unlike the alkyl or alkoxy tail series, none of the 18 presented esters in this series exhibits a smectic phase.

  DOI：

  10.1080/15421406.2018.1499700

文献信息

• Mesogenic 3,6-bis(4-hydroxyphenyl)-1,2,4,5-tetrazine alkanoate esters
  作者：Farid Fouad、Faycal Khabouchi、Alek Nielsen、Robert Twieg

  DOI：10.1080/15421406.2018.1499700

  日期：2018.4.13

  A novel series of 3,6-bis(4-hdroxyphenyl)-1,2,4,5-tetrazine alkanoate esters were synthesized and their mesogenic properties were studied using differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). The impact of changing the tail-core linkage from alkyl or alkoxy to ester is profound. Compared to the alkyl or alkoxy linkages, the ester linkage reduced mesogenic properties. Short-tailed compounds are non mesogenic (4a-4e), while long-tailed compounds (4f-4r) exhibit nematic phases. Unlike the alkyl or alkoxy tail series, none of the 18 presented esters in this series exhibits a smectic phase.