4,4-dimethyl-4H-[1,3]dithiolo[4',5':4,5]pyrano[2,3-b]quinoxalin-2-one | 1041190-27-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4,4-dimethyl-4H-[1,3]dithiolo[4',5':4,5]pyrano[2,3-b]quinoxalin-2-one
• 英文别名: 4,4-dimethyl-4H-5-oxa-1,3-dithia-6,11-diazacyclopenta[a]anthracene-2-one；leadglow；4,4-Dimethyl-4H-5-oxa-1,3-dithia-6,11-diaza-cyclopenta[a]anthracen-2-one；16,16-dimethyl-17-oxa-12,14-dithia-2,9-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15)-hexaen-13-one
• CAS: 1041190-27-5
• 化学式: C₁₄H₁₀N₂O₂S₂
• 分子量: 302.378
• InChiKey: NIUWCNJSMDTRFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4,4-dimethyl-4H-[1,3]dithiolo[4,5-c]pyran-2,6,7-trione 在 氯甲酸苄酯 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4,4-dimethyl-4H-[1,3]dithiolo[4',5':4,5]pyrano[2,3-b]quinoxalin-2-one
  参考文献：
  名称：

  通过构建块的区域选择性耦合设计钼蝶呤核

  摘要：

  钼蝶呤是所有生命形式必不可少的辅助因子。辅因子由附加在二硫烯官能化吡喃环上的蝶呤部分组成，并通过二硫烯部分结合金属离子。讨论了已设计和合成的二硫烯官能化吡喃前体的不同合成策略。这些前体还含有 1,2-二酮或 osone 官能团，这些官能团已与 1,2-二氨基苯或其他杂环缩合形成几种喹喔啉或蝶呤衍生物。添加剂的使用提高了复合物的区域选择性。分子的特征在于1 H 和13C NMR 和 IR 光谱，以及质谱。此外，已经对几种化合物进行了晶体学表征。合成分子的几何形状比蛋白质中发现的辅因子的几何形状更平面。

  DOI：

  10.1002/chem.201502845

文献信息

• COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF FLUOROPHORES
  申请人：Basu Partha

  公开号：US20080182337A1

  公开（公告）日：2008-07-31

  A new class of fluorophores is presented. The fluorophores include a conjugated ring system, such as a dithiolone, a pyran, and a pyrazine containing ring system. The structure is designed with the flexibility to have multiple substitution patterns. The fluorophores may be used in applications including, but not limited to, biomarker applications, pH sensors, metal sensors, and as components for molecular electronics.

  提供了一类新的荧光物质。这些荧光物质包括一个共轭环系统，比如二硫醚酮、吡喃和含有吡嗪的环系统。该结构设计具有多种取代模式的灵活性。这些荧光物质可用于生物标记物应用、pH传感器、金属传感器以及作为分子电子学组件等应用。
• Composition, synthesis, and use of a new class of fluorophores
  申请人：Duquesne University of the Holy Spirit

  公开号：US07888506B2

  公开（公告）日：2011-02-15

  A new class of fluorophores is presented. The fluorophores include a conjugated ring system, such as a dithiolone, a pyran, and a pyrazine containing ring system. The structure is designed with the flexibility to have multiple substitution patterns. The fluorophores may be used in applications including, but not limited to, biomarker applications, pH sensors, metal sensors, and as components for molecular electronics.

  介绍了一类新的荧光物质。这些荧光物质包括一个共轭环系统，例如二硫酮，吡喃和含有吡嗪环的系统。该结构设计具有多种取代模式的灵活性。这些荧光物质可用于生物标记应用、pH传感器、金属传感器以及作为分子电子器件的组成部分等应用。
• Lead sensor and methods of use
  申请人：Basu Partha

  公开号：US20100041158A1

  公开（公告）日：2010-02-18

  A fluorophore that forms a complex with Pb ions is disclosed. The fluorophore/lead complex fluoresces with an intensity greater than complexes formed by the fluorophore with other metals. The fluorophore may be used as a sensor/detector for lead ions in various samples. Methods for detecting and calculating the concentration of lead ions in samples are also disclosed.

  本发明公开了一种与Pb离子形成复合物的荧光物质。荧光物质/铅复合物的荧光强度大于荧光物质与其他金属形成的复合物。该荧光物质可用作各种样品中铅离子的传感器/检测器。本发明还公开了检测和计算样品中铅离子浓度的方法。
• Marbella, Lauren; Serli-Mitasev, Barbara; Basu, Partha, Angewandte Chemie - International Edition, 2009, vol. 48, p. 3996 - 3998
  作者：Marbella, Lauren、Serli-Mitasev, Barbara、Basu, Partha

  DOI：——

  日期：——
• COMPOSITIONS, METHODS AND DEVICES THEREOF FOR FLUORESCENT ANALYSIS OF GUNSHOT RESIDUE
  申请人：DUQUESNE UNIVERSITY OF THE HOLY GHOST

  公开号：US20170153180A1

  公开（公告）日：2017-06-01

  The present disclosure relates to lead ion sensors for testing, detecting and analyzing particle-containing samples for gunshot residue. The lead ion sensors include a fluorophore itself or a combination of a fluorophore and matrix material. The particle-containing samples are contacted with the lead ion sensors. Due to a presence of Pb 2+ ions in a sample, a fluorescence emission is visually observed and a correlation of a presence of gunshot residue can be made. In addition, the fluorescence emission intensity can be assessed to obtain information relating to the GSR sample. Further, there is provided a device for conducting on-site testing, detecting and analyzing of particle-containing samples for gunshot residue.