2-(4-(1,3-dioxolan-2-yl)phenyl)-4,6-dichloro-1,3,5-triazine | 1342230-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-(1,3-dioxolan-2-yl)phenyl)-4,6-dichloro-1,3,5-triazine
• CAS: 1342230-93-6
• 化学式: C₁₂H₉Cl₂N₃O₂
• 分子量: 298.128
• InChiKey: PEVFXIFLEUYXAU-UHFFFAOYSA-N

物化性质

• 沸点：
  512.9±60.0 °C(Predicted)
• 密度：
  1.462±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 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：
  0.25
• 拓扑面积：
  57.13
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(4-(1,3-dioxolan-2-yl)phenyl)-4,6-dichloro-1,3,5-triazine 在 盐酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.0h， 以95%的产率得到4-(4,6-二氯-1,3,5-三嗪-2-基)苯甲醛
  参考文献：
  名称：

  Synthesis and photovoltaic performances of donor–π–acceptor dyes utilizing 1,3,5-triazine as π spacers

  摘要：

  A series of new-type of donor-pi-acceptor dyes (TCT-1-6) utilizing 1,3,5-triazine as pi spacers were synthesized. These dyes were characterized by H-1 NMR, ESI-MS, EA, and X-ray crystallography. Their photovoltaic performances were also investigated. An overall photon-to-electron conversion efficiency of 1.8% was achieved with the DSSC based on the dye TCT-1(J(sc) = 3.33 mA/cm(2), V-oc = 757 mV, FF = 71.8%) under AM 1.5G illumination (100 mW/cm(2)). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.116
• 作为产物：
  描述：

  三聚氯氰 、 2-(4-溴苯基)-1,3-二氧戊环 在 碘 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以61%的产率得到2-(4-(1,3-dioxolan-2-yl)phenyl)-4,6-dichloro-1,3,5-triazine
  参考文献：
  名称：

  Synthesis and photovoltaic performances of donor–π–acceptor dyes utilizing 1,3,5-triazine as π spacers

  摘要：

  A series of new-type of donor-pi-acceptor dyes (TCT-1-6) utilizing 1,3,5-triazine as pi spacers were synthesized. These dyes were characterized by H-1 NMR, ESI-MS, EA, and X-ray crystallography. Their photovoltaic performances were also investigated. An overall photon-to-electron conversion efficiency of 1.8% was achieved with the DSSC based on the dye TCT-1(J(sc) = 3.33 mA/cm(2), V-oc = 757 mV, FF = 71.8%) under AM 1.5G illumination (100 mW/cm(2)). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.116