2,12-dibromo-7-(3,5-di-tert-butylphenyl)dibenz[c,h]acridine | 921601-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,12-dibromo-7-(3,5-di-tert-butylphenyl)dibenz[c,h]acridine
• 英文别名: 6,20-dibromo-13-(3,5-ditert-butylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene
• CAS: 921601-17-4
• 化学式: C₃₅H₃₁Br₂N
• 分子量: 625.446
• InChiKey: NJGHUUXAWDQCPW-UHFFFAOYSA-N

物化性质

• 熔点：
  347 °C(Solv: hexane (110-54-3))
• 沸点：
  675.9±55.0 °C(Predicted)
• 密度：
  1.389±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.48
• 重原子数：
  38.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2,12-dibromo-7-(3,5-di-tert-butylphenyl)dibenz[c,h]acridine 在 copper(l) iodide 、 四(三苯基膦)钯 sodium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 36.0h， 生成 2,12-diethynyl-7-(3,5-di-tert-butylphenyl)dibenz[c,h]acridine
  参考文献：
  名称：

  Self-assembly of rectangles via building units bearing salen and oxazoline ligands

  摘要：

  Rigid spacer-chelator with the framework of 3 has been prepared. Building units with two parallel coordination sites such as salen and oxazoline units have also been synthesized. The spacer-chelators, 11 and 15, readily self-assembled with metal complexes such as Zn++ and Co++ to form molecular rectangles. The overall dimensions of the rectangles, 13 and 17, are 6.2 angstrom x 23.5 angstrom. The characterization of the supramolecules by NMR, mass spectroscopy, and X-ray crystal structures is also reported. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.063
• 作为产物：
  描述：

  2,12-dibromo-7-(3,5-di-tert-butyl-phenyl)-5,6,8,9-tetrahydrodibenzo[c,h]acridine 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以67%的产率得到2,12-dibromo-7-(3,5-di-tert-butylphenyl)dibenz[c,h]acridine
  参考文献：
  名称：

  Self-assembly of rectangles via building units bearing salen and oxazoline ligands

  摘要：

  Rigid spacer-chelator with the framework of 3 has been prepared. Building units with two parallel coordination sites such as salen and oxazoline units have also been synthesized. The spacer-chelators, 11 and 15, readily self-assembled with metal complexes such as Zn++ and Co++ to form molecular rectangles. The overall dimensions of the rectangles, 13 and 17, are 6.2 angstrom x 23.5 angstrom. The characterization of the supramolecules by NMR, mass spectroscopy, and X-ray crystal structures is also reported. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.063