2,7-dihydrobenzo[1,2,3-cd:4,5,6-c'd']diindazole | 4430-64-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,7-dihydrobenzo[1,2,3-cd:4,5,6-c'd']diindazole
• 英文别名: dipyrazoloanthracene；2,7-dihydro-benzo[1,2,3-cd;4,5,6-c'd']diindazole；2,7-Dihydro-benzo[1,2,3-cd;4,5,6-c'd']diindazol；3,4,11,12-Tetrazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,7,9(18),10,13,15-octaene
• CAS: 4430-64-2
• 化学式: C₁₄H₈N₄
• 分子量: 232.244
• InChiKey: WGUQIMGPUIJMHM-UHFFFAOYSA-N

物化性质

• 沸点：
  308.5±38.0 °C(Predicted)
• 密度：
  1.668±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,5-dihydrazino-anthraquinone 在 硫酸 作用下， 生成 2,7-dihydrobenzo[1,2,3-cd:4,5,6-c'd']diindazole
  参考文献：
  名称：

  Moehlau, Chemische Berichte, 1912, vol. 45, p. 2247

  摘要：

  DOI：

文献信息

• 300. 1 : 9-Pyrazoloanthrone. Part II. Nuclear substitution by bases and self-condensation in 1 : 9-pyrazoloanthrone and its N-methyl derivatives
  作者：William Bradley、Kenneth W. Geddes

  DOI：10.1039/jr9520001636

  日期：——
• Möhlau’s Anthradipyrazole Revisited: A New Look at an Old Molecular System
  作者：Angelo Maspero、Giovanni B. Giovenzana、Norberto Masciocchi、Giovanni Palmisano、Angiolina Comotti、Piero Sozzani、Irene Bassanetti、Luca Nardo

  DOI：10.1021/cg4011357

  日期：2013.11.6

  Two polymorphs of 2,7-dihydrobenzo[1,2,3-cd:4,5,6-c'd']diindazole ("dipyrazoloanthracene"; alpha and beta; DBDI) were isolated and fully characterized by means of structural X-ray powder diffraction methods, thermal, and extended spectroscopic analyses. Different interconversion paths between the two species were evidenced. UV-vis absorption, emission, and excitation spectra were measured, while time-resolved fluorescence studies allowed for the detection of multiple decay processes. In the two species, NH center dot center dot center dot N hydrogen bonds give rise to manifestly different structures, which, in the rhombohedral beta phase, generate permanent porosity. This feature has been further characterized by CO2/N-2/CH4 sorption isotherms at different temperatures, highlighting a significant selectivity favoring CO2 trapping.
• DE171293
  申请人：——

  公开号：——

  公开（公告）日：——