(1R,4aR,4bR,10aR)-N-(2,3,6,7,10,11-hexakis(heptyloxy)triphenylen-1-yl)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxamide | 1242063-66-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (1R,4aR,4bR,10aR)-N-(2,3,6,7,10,11-hexakis(heptyloxy)triphenylen-1-yl)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxamide
• CAS: 1242063-66-6
• 化学式: C₈₀H₁₂₅NO₇
• 分子量: 1212.87
• InChiKey: SMFCNLXEDCWGLO-MCWIXFAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.32
• 重原子数：
  88.0
• 可旋转键数：
  45.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  84.48
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  脂松香 、 1-amino-2,3,6,7,10,11-hexaheptyloxytriphenylene 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以89%的产率得到(1R,4aR,4bR,10aR)-N-(2,3,6,7,10,11-hexakis(heptyloxy)triphenylen-1-yl)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxamide
  参考文献：
  名称：

  Synthesis and study of heptasubstituted triphenylenes with chiral fragments and predictable type of mesomorphism

  摘要：

  The forecasting of columnar and chiral mesomorphism was done for the new series of triphenylene derivatives. The mesomorphic properties of the two heptasubstituted triphenylenes containing chiral fragments were studied. The prediction results agreed well with the experimental data. Anilides of 1-amino-2,3,6,7,10,11-hexa(heptyloxy)triphenylene with abietic and dihydrocholic acids were found to exhibit the enantiotropic columnar dimesomorphism and to display the chiral columnar mesophases in the low-temperature range. The anilides obtained possess a lower thermal stability and extended interval of the mesophase existence than the initial amine.

  DOI：

  10.1134/s1070363210020155