14-hexyl-dibenzo[jk,mn]naphtho[2,1,8-fgh]thebenidinium bromide | 1093936-50-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 14-hexyl-dibenzo[jk,mn]naphtho[2,1,8-fgh]thebenidinium bromide
• CAS: 1093936-50-5
• 化学式: Br*C₃₃H₂₆N
• 分子量: 516.48
• InChiKey: VZHCQWMAWYDWTG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.94
• 重原子数：
  35.0
• 可旋转键数：
  5.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  3.88
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  7-hexyl-14-phenyldibenzo[a,j]acridinium bromide 以 乙醇 为溶剂， 反应 72.0h， 以69%的产率得到14-hexyl-dibenzo[jk,mn]naphtho[2,1,8-fgh]thebenidinium bromide
  参考文献：
  名称：

  Synthesis and self-assembly of dibenzo[jk,mn]naphtho[2,1,8-fgh]thebenidinium derivates

  摘要：

  A novel synthetic method toward nitrogen containing positively charged dibenzo[jk,mn]naptho[2,1,8-fgh]thebenidinium (DBNT, 1) salts was developed. In this method, the undehydrogenated precursor of DBNT, 14-phenyl-14-dibenzo[aj]acridinium salt (6), was produced directly from the reaction between 14-phenyl-14-dibenzo[aj]xanthenylium (2) and annine/aniline in reasonable yield. Various DBNT salts with different alkyl and alkylphenyl chains were synthesized in this two-step method. The self-assembly behavior of two alkylated DBNT salts, 1c and If, Was Studied in this work. Due to the different substituents and counterions, Compound 1c formed nanoscale wirelike fibers, and helical aggregates were obtained from 1f, in their methanolic solutions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.063