1,2,5,6,9,10-coronene-hexaone | 847977-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,2,5,6,9,10-coronene-hexaone
• 英文别名: coronene-1,2,5,6,9,10-hexaone；Coronene-1,2,5,6,9,10-hexaone；coronene-1,2,5,6,9,10-hexone
• CAS: 847977-90-6
• 化学式: C₂₄H₆O₆
• 分子量: 390.308
• InChiKey: BWWUVRCPDLEXIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  817.4±55.0 °C(Predicted)
• 密度：
  1.905±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2,5,6,9,10-coronene-hexaone 、 5,6-diamino-2-(4,5-bis(hexylthio)-1,3-dithio-2-ylidene)benzo[d]-1,3-dithiole 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以25%的产率得到8,25,42-Tris[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-7,9,24,26,41,43-hexathia-3,13,20,30,37,47-hexazahexadecacyclo[47.6.2.02,14.04,12.06,10.015,54.018,53.019,31.021,29.023,27.032,52.035,51.036,48.038,46.040,44.050,55]heptapentaconta-1(55),2,4,6(10),11,13,15(54),16,18(53),19,21,23(27),28,30,32(52),33,35(51),36,38,40(44),45,47,49,56-tetracosaene
  参考文献：
  名称：

  Star-Shaped Tetrathiafulvalene-Fused Coronene with Large π-Extended Conjugation

  摘要：

  A tristar shaped, planar TTF-fused coronene I was synthesized, its electronic properties have been studied experimentally by the combination of electrochemistry and UV-vis-NIR spectroscopy. Thereby, a nanosized graphite fragment is largely extended in its size, supplemented with a multielectron donor functionality, and shaped to a strongly chromophoric species absorbing intensely in the visible part of the optical spectrum.

  DOI：

  10.1021/jo901054b
• 作为产物：
  描述：

  1,2,5,6,9,10-hexamethoxycoronene 在 三溴化硼 、 硝酸 作用下， 以 二氯甲烷 为溶剂， 生成 1,2,5,6,9,10-coronene-hexaone
  参考文献：
  名称：

  Star-Shaped Tetrathiafulvalene-Fused Coronene with Large π-Extended Conjugation

  摘要：

  A tristar shaped, planar TTF-fused coronene I was synthesized, its electronic properties have been studied experimentally by the combination of electrochemistry and UV-vis-NIR spectroscopy. Thereby, a nanosized graphite fragment is largely extended in its size, supplemented with a multielectron donor functionality, and shaped to a strongly chromophoric species absorbing intensely in the visible part of the optical spectrum.

  DOI：

  10.1021/jo901054b

文献信息

• [EN] SYNTHETIC BINDING PAIRS COMPRISING CUCURBITURIL DERIVATIVES AND POLYAMMONIUM COMPOUDS AND USES THEREOF<br/>[FR] NOUVELLES PAIRES DE LIAISON SYNTHETIQUES ET LEURS UTILISATIONS
  申请人：TECHNION RES & DEV FOUNDATION

  公开号：WO2005023816A3

  公开（公告）日：2005-07-14
• Entry to Coronene Chemistry-Making Large Electron Donors and Acceptors
  作者：Ralph Rieger、Marcel Kastler、Volker Enkelmann、Klaus Müllen

  DOI：10.1002/chem.200800832

  日期：2008.7.18
• SYNTHETIC BINDING PAIRS COMPRISING CUCURBITURIL DERIVATIVES AND POLYAMMONIUM COMPOUNDS AND USES THEREOF
  申请人：TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD.

  公开号：EP1668015A2

  公开（公告）日：2006-06-14
• CUCURBITURIL ASSEMBLY AND USES THEREOF
  申请人：TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD.

  公开号：EP1668015B1

  公开（公告）日：2013-08-21
• Novel synthetic binding pairs and uses thereof
  申请人：Keinan Ehud

  公开号：US20060292570A1

  公开（公告）日：2006-12-28

  Derivatized cucurbiturils can be efficiently prepared and utilized for forming cucurbituril assemblies. These cucurbituril assemblies, in turn, can form affinity binding pairs with polyamines structures that are designed capable of binding to these assemblies. The resulting affinity pairs are highly advantageous over the presently known affinity pairs and therefore can be efficiently utilized in a myriad of application. Thus, according to one aspect of the present invention there is provided a cucurbituril comprising at least one functional group covalently attached hereto, whereby the at least one functional group being for forming an assembly of at least two cucurbiturils. According to further features in preferred embodiments of the invention described below, the cucurbituril is selected from the group consisting of CB[5], CB[6], CB[7], CB[8] and CB[n], wherein n is an integer that equals to or is lower than 20. Preferably the cucurbituril is selected from the group consisting of CB[5], CB[6], CB[7] and CB[8]. According to still further features in the described preferred embodiments the assembly is selected from the group consisting of a dimer, a trimer, a polymer, an oligomer, a dendrimer and a cluster of the cucurbituril.