6,12-Dimethoxy-5,11-diphenylchrysen | 142581-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 6,12-Dimethoxy-5,11-diphenylchrysen
• 英文别名: 6,12-Dimethoxy-5,11-diphenylchrysene
• CAS: 142581-48-4
• 化学式: C₃₂H₂₄O₂
• 分子量: 440.541
• InChiKey: MWQDBYKWEGXSJW-UHFFFAOYSA-N

物化性质

• 沸点：
  569.2±45.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,12-Dimethoxy-5,11-diphenylchrysen 在 air 、 碘代三甲硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 79.0h， 以50%的产率得到5,11-diphenylchrysene-6,12-dione
  参考文献：
  名称：

  Alkyne–Carbene Chelate Complexes of Chromium: Arrested Intermediates in the Benzannulation Reaction and Precursors of Densely Functionalized Centrosymmetric Chrysenes

  摘要：

  AbstractTetracarbonyl‐π2‐alkyne–carbene chromium(0) complexes 3a–c stabilized by a rigid C2‐arene unit bridging the alkyne and the carbene ligands were synthesized from their pentacarbonyl precursors 2a–c by low‐temperature photodecarbonylation. The chelates 3a–c are the first stable alkyne–carbene complexes containing a Group VIB metal carbonyl unit, and can be regarded as arrested intermediates in the chromium‐mediated benzannulation reaction. Comparative X‐ray and 13C NMR studies indicate only weak coordination of the alkyne, both in the solid state and in solution. Decomposition of chelates 3a–c as well as the thermal decarbonylation of their pentacarbonyl precursors 2a–c results in dimerization of the alkynylcarbene ligands to give densely substituted oxygenated chrysene derivatives. A modification of the substitution pattern in the central chrysene rings results in a gradual distortion of the arene system across the central CC arene bond.

  DOI：

  10.1002/chem.19970030605
• 作为产物：
  描述：

  1-溴-2-苯基乙炔-苯 、 trimethoxonium tetrafluoroborate 生成 6,12-Dimethoxy-5,11-diphenylchrysen
  参考文献：
  名称：

  Alkyne–Carbene Chelate Complexes of Chromium: Arrested Intermediates in the Benzannulation Reaction and Precursors of Densely Functionalized Centrosymmetric Chrysenes

  摘要：

  AbstractTetracarbonyl‐π2‐alkyne–carbene chromium(0) complexes 3a–c stabilized by a rigid C2‐arene unit bridging the alkyne and the carbene ligands were synthesized from their pentacarbonyl precursors 2a–c by low‐temperature photodecarbonylation. The chelates 3a–c are the first stable alkyne–carbene complexes containing a Group VIB metal carbonyl unit, and can be regarded as arrested intermediates in the chromium‐mediated benzannulation reaction. Comparative X‐ray and 13C NMR studies indicate only weak coordination of the alkyne, both in the solid state and in solution. Decomposition of chelates 3a–c as well as the thermal decarbonylation of their pentacarbonyl precursors 2a–c results in dimerization of the alkynylcarbene ligands to give densely substituted oxygenated chrysene derivatives. A modification of the substitution pattern in the central chrysene rings results in a gradual distortion of the arene system across the central CC arene bond.

  DOI：

  10.1002/chem.19970030605

文献信息

• COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20180222844A1

  公开（公告）日：2018-08-09

  A compound represented by formula (1) provides a high performance organic electroluminescence device and a novel material for realizing such an organic electroluminescence device: wherein R 1 to R 6 , a to f, L 1 to L 3 , and Ar are as defined in the description.

  由式（1）表示的化合物提供了高性能的有机电致发光器件，并为实现这种有机电致发光器件提供了一种新颖材料： 其中R1至R6，a至f，L1至L3，以及Ar如描述中所定义。
• COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE
  申请人：IDEMITSU KOSAN CO.,LTD.

  公开号：US20210094937A1

  公开（公告）日：2021-04-01

  A compound represented by formula (1) provides an organic electroluminescence device having lifetime further improved: wherein R 1 to R 9 , R 11 to R 18 , R 21 to R 27 , Ar, L 1 , L 2 , and L 3 are as defined in the description.

  公式（1）所代表的化合物提供了具有进一步改善寿命的有机电致发光器件： 其中R1至R9，R11至R18，R21至R27，Ar，L1，L2和L3如描述中所定义。
• ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE
  申请人：OSAKA Harue

  公开号：US20120077987A1

  公开（公告）日：2012-03-29

  A novel substance with which an increase in life and emission efficiency of a light-emitting element can be achieved is provided. A carbazole compound having a structure represented by General Formula (G1) is provided. Note that a substituent which makes the HOMO level and the LUMO level of a compound in which a bond of the substituent is substituted with hydrogen deep and shallow, respectively is used as each of substituents in General Formula (G1) (R 1 , R 2 , Ar 3 , and α 3 ). Further, a substituent which makes the band gap (Bg) and the T1 level of a compound in which a bond of the substituent is substituted with hydrogen wide and high is used as each of the substituents in General Formula (G1) (R 1 , R 2 , Ar 3 , and α 3 ).

  提供一种新型物质，可以实现发光元件寿命和发射效率的提高。提供一种具有通用式（G1）表示的结构的咔唑化合物。请注意，在通用式（G1）中，使取代基的HOMO能级和LUMO能级分别变深和变浅的取代基被用作每个取代基（R1、R2、Ar3和α3）。此外，在通用式（G1)中，使取代基的带隙（Bg）和T1能级分别变宽和变高的取代基被用作每个取代基（R1、R2、Ar3和α3）。
• NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：IDEMITSU KOSAN CO.,LTD.

  公开号：US20200377513A1

  公开（公告）日：2020-12-03

  A compound represented by the following formula (1):

  以下公式（1）所代表的化合物：
• COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20200392122A1

  公开（公告）日：2020-12-17

  A compound represented by formula (1): wherein R 1 to R 7 , R 11 to R 18 , L 1 to L 3 , a to c, n, and Ar are as defined in the description, provides an organic electroluminescence device having an emission efficiency and a device lifetime further improved.

  由以下式（1）表示的化合物： 其中R1至R7，R11至R18，L1至L3，a至c，n和Ar如描述中所定义， 提供了具有进一步提高的发射效率和器件寿命的有机电致发光器件。