2-(methylcarbamoylmethoxy)-3,6,7,10,11-penta(hexyloxy)triphenylene | 1344736-17-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-(methylcarbamoylmethoxy)-3,6,7,10,11-penta(hexyloxy)triphenylene
• 英文别名: N-methyl-2-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyacetamide
• CAS: 1344736-17-9
• 化学式: C₅₁H₇₇NO₇
• 分子量: 816.175
• InChiKey: WPFSDVPDOTXTCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.7
• 重原子数：
  59
• 可旋转键数：
  33
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  84.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,2-二己氧基苯 在 iron(III) chloride 、 氯代叔丁烷 、 硫酸 、 lithium 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 53.0h， 生成 2-(methylcarbamoylmethoxy)-3,6,7,10,11-penta(hexyloxy)triphenylene
  参考文献：
  名称：

  Synthesis and Mesomorphism of Asymmetric Triphenylene Discotic Liquid Crystals Bearing with Mono-Amido-Based Alkyl Soft Chains

  摘要：

  A series of triphenylene discotic liquid crystals with amido-based alkyl chains in different lengths were synthesized and characterized. The liquid crystal properties were studied with differential scanning calorimetry and polarizing optical microscopy. The influences of amide alkyl chain lengths on the mesomorphism were discussed. Based on the results, we concluded that the triphenylene discogens with an amido-based alkyl chain could form intermolecular hydrogen bonds inside their columnar stacks, and hence, exhibit higher melting and clearing points, and wider mesophase ranges.

  DOI：

  10.1080/15421406.2011.569516

文献信息

• Synthesis and Mesomorphism of Asymmetric Triphenylene Discotic Liquid Crystals Bearing with Mono-Amido-Based Alkyl Soft Chains
  作者：K. Q. Zhao、J. Z. Guo、W. H. Yu、L. Wang、P. Hu、B. Q. Wang、H. Monobe、Y. Shimizu

  DOI：10.1080/15421406.2011.569516

  日期：2011.6.30

  A series of triphenylene discotic liquid crystals with amido-based alkyl chains in different lengths were synthesized and characterized. The liquid crystal properties were studied with differential scanning calorimetry and polarizing optical microscopy. The influences of amide alkyl chain lengths on the mesomorphism were discussed. Based on the results, we concluded that the triphenylene discogens with an amido-based alkyl chain could form intermolecular hydrogen bonds inside their columnar stacks, and hence, exhibit higher melting and clearing points, and wider mesophase ranges.