2-chloro-4,6-bis(5-methylthiophen-2-yl)-1,3,5-triazine | 1415109-34-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2-chloro-4,6-bis(5-methylthiophen-2-yl)-1,3,5-triazine
• CAS: 1415109-34-0
• 化学式: C₁₃H₁₀ClN₃S₂
• 分子量: 307.827
• InChiKey: AGVHMDIMMBZIQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  38.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-chloro-4,6-bis(5-methylthiophen-2-yl)-1,3,5-triazine 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以82%的产率得到2,4-bis(5-(bromomethyl)thiophen-2-yl)-6-chloro-1,3,5-triazine
  参考文献：
  名称：

  Triazine dyes as photosensitizers for dye-sensitized solar cells

  摘要：

  A new series of triazine-containing donor-pi-acceptor organic sensitizers (TCT-(7-19)) with broad absorptions and high molar extinction coefficients have been designed and synthesized based on our previous work. All these dyes were completely characterized by H-1 NMR, ESI-MS, EA, IR, UV-vis, and cyclic voltammetry. The photovoltaic performances of dye-sensitized solar cells (DSSCs) based on these dyes were investigated. The effect of conjugating length and terminating groups on the absorption properties and photovoltaic performances were discussed. An overall photon-to-electron conversion efficiency of 3.69% was achieved with the DSSC based on the dye TCT-13 (J(sc)=7.76 mA cm(-2), V-oc=691 mV, FF=68.8%) under AM 1.5G illumination (100 mW/cm(2)). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.046
• 作为产物：
  描述：

  2-溴-5-甲基噻吩 、 三聚氯氰 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 13.5h， 以63%的产率得到2-chloro-4,6-bis(5-methylthiophen-2-yl)-1,3,5-triazine
  参考文献：
  名称：

  Triazine dyes as photosensitizers for dye-sensitized solar cells

  摘要：

  A new series of triazine-containing donor-pi-acceptor organic sensitizers (TCT-(7-19)) with broad absorptions and high molar extinction coefficients have been designed and synthesized based on our previous work. All these dyes were completely characterized by H-1 NMR, ESI-MS, EA, IR, UV-vis, and cyclic voltammetry. The photovoltaic performances of dye-sensitized solar cells (DSSCs) based on these dyes were investigated. The effect of conjugating length and terminating groups on the absorption properties and photovoltaic performances were discussed. An overall photon-to-electron conversion efficiency of 3.69% was achieved with the DSSC based on the dye TCT-13 (J(sc)=7.76 mA cm(-2), V-oc=691 mV, FF=68.8%) under AM 1.5G illumination (100 mW/cm(2)). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.046