[9-Heptyl-6-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoyloxymethyl]carbazol-3-yl]methyl 6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoate | 1257519-44-0

• 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: [9-Heptyl-6-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoyloxymethyl]carbazol-3-yl]methyl 6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoate
• 英文别名: [9-heptyl-6-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoyloxymethyl]carbazol-3-yl]methyl 6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoate
• CAS: 1257519-44-0
• 化学式: C₁₁₉H₁₆₇NO₁₆
• 分子量: 1867.63
• InChiKey: PFBCKPUGMIWDEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34.4
• 重原子数：
  136
• 可旋转键数：
  76
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  C₃₃H₄₅Br₂NO₄ 、 2-hydroxy-3,6,7,10,11-pentapentyloxytriphenylene 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以36%的产率得到[9-Heptyl-6-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoyloxymethyl]carbazol-3-yl]methyl 6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexanoate
  参考文献：
  名称：

  Design and Synthesis of Novel Calamitic and Discotic Materials Based on the Photorefractive Carbazole Unit

  摘要：

  The incorporation of photorefractive molecular units, such as carbazole, into anisotropic materials (liquid crystals) may offer many advantages over conventional electrical poling of photorefractive polymers. Thus, a series of symmetric 3,6-disubstituted carbazole derivatives with well-known biphenyl and triphenylene liquid-crystalline moieties was synthesized and characterized. These modifications were achieved by the esterification of bishydroxy carbazole derivatives with monoalkylated biphenyl carboxylic acids and alkylation of bisacylated bromo- derivatives of carbazole with monohydroxy pentaalkoxy triphenylene. The pure compounds are not liquid-crystalline, even when doped with trinitrofluorenone (TNF), unlike triphenylene/carbazole materials that we reported previously. These compounds, although not liquid-crystalline, may be of interest in the field of photorefractivity.

  DOI：

  10.1080/15421400903568054

文献信息

• Design and Synthesis of Novel Calamitic and Discotic Materials Based on the Photorefractive Carbazole Unit
  作者：M. Manickam、P. Iqbal、N. Spencer、P. R. Ashton、S. Kumar、K. J. Donovan、J. A. Preece

  DOI：10.1080/15421400903568054

  日期：2010.3.22

  The incorporation of photorefractive molecular units, such as carbazole, into anisotropic materials (liquid crystals) may offer many advantages over conventional electrical poling of photorefractive polymers. Thus, a series of symmetric 3,6-disubstituted carbazole derivatives with well-known biphenyl and triphenylene liquid-crystalline moieties was synthesized and characterized. These modifications were achieved by the esterification of bishydroxy carbazole derivatives with monoalkylated biphenyl carboxylic acids and alkylation of bisacylated bromo- derivatives of carbazole with monohydroxy pentaalkoxy triphenylene. The pure compounds are not liquid-crystalline, even when doped with trinitrofluorenone (TNF), unlike triphenylene/carbazole materials that we reported previously. These compounds, although not liquid-crystalline, may be of interest in the field of photorefractivity.