11,22-Dibromo-7,18-di(tricosan-12-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone | 1268673-74-0

• 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: 11,22-Dibromo-7,18-di(tricosan-12-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• 英文别名: 11,22-dibromo-7,18-di(tricosan-12-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• CAS: 1268673-74-0
• 化学式: C₇₀H₁₀₀Br₂N₂O₄
• 分子量: 1193.38
• InChiKey: YLLREWOTUREDOE-UHFFFAOYSA-N

物化性质

• 沸点：
  1036.7±65.0 °C(predicted)
• 密度：
  1.170±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  27.6
• 重原子数：
  78
• 可旋转键数：
  42
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氨基-3-硝基苯硼酸频那醇酯 、 11,22-Dibromo-7,18-di(tricosan-12-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 12.0h， 以70%的产率得到11,22-Bis(4-amino-3-nitrophenyl)-7,18-di(tricosan-12-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  Regioselective Photocyclization To Prepare Multifunctional Blocks for Ladder-Conjugated Materials

  摘要：

  Multifunctional building blocks 8 and 9 were efficiently synthesized by fusing a perylene-3,4,9,10-tetracarboxylic acid bisimide (PBI) core with o-phenylenediamine, and they were condensed with a pyrenedione and a pyrenetetraone, respectively, to construct new ladder-type conjugated oligomers 12 and 13. In the key photocyclization step, an unusual regioselectivity at the position ortho to the nitro group was discovered in the coupling of the o-nitroaniline functional units at the bay sites of PBI. Bulk-heterojunction solar cells based on 12 and 13 as the acceptors exhibited reasonable performance.

  DOI：

  10.1021/jo400619u
• 作为产物：
  描述：

  12-二十三酮 在 咪唑 、 甲醇 、 zinc diacetate 、 ammonium acetate 、 溴 、 sodium cyanoborohydride 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 60.0h， 生成 5-bromo-2,9-di(tricosan-12-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone 、 11,22-Dibromo-7,18-di(tricosan-12-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  一种新型苝二酰亚胺分子：合成、结构特性关系和纳米结构

  摘要：

  通过Stille偶联方案合成了一种新型苝二亚胺衍生物( 1 )，以研究连接在海湾位置的庞大基团对PDI衍生物纳米结构形成的影响。化合物1通过快速注入甲醇中的氯仿溶液自组装，得到纳米结构。通过结合不同的实验技术，如紫外-可见分光光度计、扫描电子显微镜 (SEM)、透射电子显微镜 (TEM) 和 X 射线衍射 (XRD)，阐明了纳米结构的尺寸、形状和形态。由于苝核之间的 π-π 相互作用，高度有序的纳米结构和微结构的构建是由 π-共轭染料分子在极性有机溶剂中的性质操作的。从 UV-vis 数据可以看出，染料分子在低极性有机溶剂中表现出溶剂化变色行为，在甲醇中表现出自组装行为。使用UV-Vis吸收研究了海湾位置和烷基链对酰亚胺位置的庞大基团的影响，差示扫描量热法 (DSC)、热重分析 (TGA)、循环伏安法 (CV) 和 XRD。SEM 和 TEM 图像揭示了直径≈400 nm 的纳米结构形态。

  DOI：

  10.1016/j.jssc.2021.122687

文献信息

• SHARP POLYMER AND CAPACITOR
  申请人：Capacitor Sciences Incorporated

  公开号：US20170233528A1

  公开（公告）日：2017-08-17

  A meta-dielectric film usable in a capacitor includes composite molecules with a resistive envelope built with alkyl oligomeric single chain or branched chain oligomers having carbo-hydrogen or carbo-fluoro composition and a polarizable core molecular fragment inside the resistive envelope. The polarizable core has an electronic or ionic type of polarizability provided by electronic conductivity of the core molecular fragment or limited mobility of ionic parts of the core molecular fragment.
• GRID CAPACITIVE POWER STORAGE SYSTEM
  申请人：Lazarev Pavel Ivan

  公开号：US20170236648A1

  公开（公告）日：2017-08-17

  The present disclosure provides an energy storage system comprising at least one capacitive energy storage device and a DC-voltage conversion device. The capacitive energy storage device comprises at least one metacapacitor. The output voltage of the capacitive energy storage device is the input voltage of the DC-voltage conversion device. The capacitive energy storage system is capable of being charged from a power generation system and/or an electrical grid and discharging energy to a load and/or electrical grid. The capacitive energy storage system is configurable to supply external power as an operating power in a first state in which the external power is applied and/or to supply power as the operating power in a second state in which the external power is not applied.
• ELECTRIC VEHICLE POWERED BY CAPACITIVE ENERGY STORAGE MODULES
  申请人：Capacitor Sciences Incorporated

  公开号：US20180126857A1

  公开（公告）日：2018-05-10

  The invention relates to a capacitor based energy storage module and an electric vehicle using the same. For providing an electric vehicle which can meet the requirements of long distance running and rapid acceleration at the same time, the electric vehicle of present invention comprising: An electric control unit controlling all operations of the electric vehicle; An energy storage unit having one or more energy devices based on meta-capacitor which provides needed electric energy of the electric vehicle; A DC-DC converter receiving control signal from said electric control unit to convert the energy from said energy storage unit then provide to motor; A motor converting the electric energy into mechanical energy to drive the wheels; Wheels are driven by the motor to make the electric vehicle run.
• A novel perylenediimide molecule: Synthesis, structural property relationship and nanoarchitectonics
  作者：Afzal Siddiqui、Sachin Thawarkar、Surya Prakash Singh

  DOI：10.1016/j.jssc.2021.122687

  日期：2022.2

  between perylene molecules, the morphology of nano-architectonics and absorption properties of compound 1 are investigated by DFT calculations. On the basis of molecular orbitals, we have explained the electronic transitions and energy state in compound 1. The conjugation in compound 1 is affected by the degree of twisting in perylene ring due to the substituent at the bay positions of the perylene core

  通过Stille偶联方案合成了一种新型苝二亚胺衍生物( 1 )，以研究连接在海湾位置的庞大基团对PDI衍生物纳米结构形成的影响。化合物1通过快速注入甲醇中的氯仿溶液自组装，得到纳米结构。通过结合不同的实验技术，如紫外-可见分光光度计、扫描电子显微镜 (SEM)、透射电子显微镜 (TEM) 和 X 射线衍射 (XRD)，阐明了纳米结构的尺寸、形状和形态。由于苝核之间的 π-π 相互作用，高度有序的纳米结构和微结构的构建是由 π-共轭染料分子在极性有机溶剂中的性质操作的。从 UV-vis 数据可以看出，染料分子在低极性有机溶剂中表现出溶剂化变色行为，在甲醇中表现出自组装行为。使用UV-Vis吸收研究了海湾位置和烷基链对酰亚胺位置的庞大基团的影响，差示扫描量热法 (DSC)、热重分析 (TGA)、循环伏安法 (CV) 和 XRD。SEM 和 TEM 图像揭示了直径≈400 nm 的纳米结构形态。
• Regioselective Photocyclization To Prepare Multifunctional Blocks for Ladder-Conjugated Materials
  作者：Zhenbo Zhao、Youdi Zhang、Yi Xiao

  DOI：10.1021/jo400619u

  日期：2013.6.7

  Multifunctional building blocks 8 and 9 were efficiently synthesized by fusing a perylene-3,4,9,10-tetracarboxylic acid bisimide (PBI) core with o-phenylenediamine, and they were condensed with a pyrenedione and a pyrenetetraone, respectively, to construct new ladder-type conjugated oligomers 12 and 13. In the key photocyclization step, an unusual regioselectivity at the position ortho to the nitro group was discovered in the coupling of the o-nitroaniline functional units at the bay sites of PBI. Bulk-heterojunction solar cells based on 12 and 13 as the acceptors exhibited reasonable performance.