3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-(4-(prop-2-yn-1-yloxy)-phenyl)-thiophen-3-yl)cyclopent-1-en-1-yl)-2-methyl-5-phenylthiophene | 1045335-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-(4-(prop-2-yn-1-yloxy)-phenyl)-thiophen-3-yl)cyclopent-1-en-1-yl)-2-methyl-5-phenylthiophene
• 英文别名: 1-(2-Methyl-5-phenyl-3-thienyl)-2-[2-methyl-5-[4-(propargyloxy)phenyl]-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene；3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-2-methyl-5-(4-prop-2-ynoxyphenyl)thiophene
• CAS: 1045335-50-9
• 化学式: C₃₀H₂₀F₆OS₂
• 分子量: 574.611
• InChiKey: KSQCZQMUPUANQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-(4-(prop-2-yn-1-yloxy)-phenyl)-thiophen-3-yl)cyclopent-1-en-1-yl)-2-methyl-5-phenylthiophene 以 乙腈 为溶剂， 生成 8,8,9,9,10,10-Hexafluoro-1,2-dimethyl-4-phenyl-14-(4-prop-2-ynoxyphenyl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
  参考文献：
  名称：

  Multimodal fluorescence modulation using molecular photoswitches and upconverting nanoparticles

  摘要：

  上转换纳米粒子发出的光的强度和颜色由装饰在纳米粒子表面的光响应二噻吩乙烯配体的状态控制。通过选择性地激活混合的三组分系统中的一个或两个配体，可以实现对发射光的多模式读取。

  DOI：

  10.1039/c2ob25368b
• 作为产物：
  描述：

  8,8,9,9,10,10-Hexafluoro-1,2-dimethyl-4-phenyl-14-(4-prop-2-ynoxyphenyl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene 以 乙腈 为溶剂， 生成 3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-(4-(prop-2-yn-1-yloxy)-phenyl)-thiophen-3-yl)cyclopent-1-en-1-yl)-2-methyl-5-phenylthiophene
  参考文献：
  名称：

  Multimodal fluorescence modulation using molecular photoswitches and upconverting nanoparticles

  摘要：

  上转换纳米粒子发出的光的强度和颜色由装饰在纳米粒子表面的光响应二噻吩乙烯配体的状态控制。通过选择性地激活混合的三组分系统中的一个或两个配体，可以实现对发射光的多模式读取。

  DOI：

  10.1039/c2ob25368b

文献信息

• Highly Emissive Far-Red/Near-Infrared Fluorescent Conjugated Polymer-Based Nanoparticles
  申请人：National University of Singapore

  公开号：US20150175747A1

  公开（公告）日：2015-06-25

  A series of conjugated polymer-based nanoparticles having far-red/near infrared emission ranges are disclosed. Cross coupling methods to prepare the conjugated polymers and methods of nanoparticle preparation are also discussed. The conjugated polymer nanoparticles are used as FR/NIR fluorescent probes in in vitro and in vivo biosensing and bioimaging applications, and are also used in photoacoustic imaging as contrast agents. Finally, use of the conjugated polymer nanoparticles in photothermal therapy is described.

  本发明公开了一系列基于共轭聚合物的纳米颗粒，具有远红外/近红外发射范围。同时，还讨论了制备共轭聚合物的交叉偶联方法和纳米颗粒制备方法。这些共轭聚合物纳米颗粒可用作体外和体内生物传感和生物成像应用中的远红外/近红外荧光探针，也可用作光声成像对比剂。最后，还描述了在光热疗法中使用共轭聚合物纳米颗粒的方法。
• Charge Transfer and Intraligand Excited State Interactions in Platinum-Sensitized Dithienylethenes
  作者：Matthew N. Roberts、Jeffrey K. Nagle、Marek B. Majewski、Jeremy G. Finden、Neil R. Branda、Michael O. Wolf

  DOI：10.1021/ic200200j

  日期：2011.6.6

  The photophysical behavior for two photochromic Pt-terpyridine acetylide complexes containing pendant dithienylethenes (DTEs) bound to the metal through the alkynyl linkage is presented. Selective excitation of the Pt complex with visible light resulted in the metal-sensitized ring closing of the DTE unit. The central purpose of this study was to understand how excited state interactions govern the photophysics by correlating differences in the linkage of the two components with differences in the intramolecular energy transfer processes that occur between the Pt complex and the DTE. A series of model complexes without photochromic ligands were prepared and studied to elucidate the contributions of the triplet metal-to-ligand charge transfer and triplet intraligand states. It is demonstrated that reducing the orbital overlap of the metal-based and intraligand states by lengthening the linkage and eliminating a conjugated pathway is effective at dramatically decreasing the efficiency of intramolecular energy transfer. This is evidenced by the appearance of Pt-terpyridine based phosphorescence and a significant decrease in the observed rate of metal-sensitized ring closing of the DTE.