4-(4,6-Diaminopyrimidin-2-ylthio)phthalonitrile | 1017278-03-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(4,6-Diaminopyrimidin-2-ylthio)phthalonitrile
• 英文别名: 4-(4,6-Diaminopyrimidin-2-yl)sulfanylbenzene-1,2-dicarbonitrile
• CAS: 1017278-03-3
• 化学式: C₁₂H₈N₆S
• 分子量: 268.302
• InChiKey: SUQPPCOADKWHDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  lutetium (III) acetate hydrate 、 4-(4,6-Diaminopyrimidin-2-ylthio)phthalonitrile 以 further solvent(s) 为溶剂， 以49%的产率得到bis-[2,9,16,23-tetra(4'-(4'-6'-diaminopyimidin-2'-ylthio))phthalocyaninatolutetium(III)]
  参考文献：
  名称：

  The nonlinear refraction and nonlinear absorption in 4-(4,6-diaminopyrimidin-2-ylthio) substituted double-decker Lu(III) phthalocyanine

  摘要：

  A 4-(4,6-diaminopyrimidin-2-ylthio) substituted double-decker Lu(III) phthalocyanines (4) have been prepared and characterized by elemental analysis, IR, LIV-vis and H-1 NMR spectroscopies. The nonlinear refractive index, nonlinear absorption and the optical limiting (OL) performance of the compound 4 in a 0.5 mm spectroscopic cell in DMF solution were investigated by using 4 ns pulse laser at 532 nm. Z-scan experiments have been conducted between 0.24 and 2.39 GW/cm(2) peak intensities for 10 Hz repetition rate and also between 2.39 and 23.89 GW/cm2 peak intensities for 1 Hz repetition rate. The thermal effect contributes to the nonlinear response of the material higher than 0.72 GW/cm(2) peak intensity at 10 Hz. We measured the effective nonlinear refractive index of the material as 1.2 x 10(-11) esu at 3.5 x 10(-4) M concentration with the peak intensity less than 0.72 GW/cm(2) and we found that nonlinear absorption was very small. On the other hand, when concentration is increased to 2.4 x 10(-3) M material's nonlinear absorption becomes dominant mechanism for the nonlinear response and the compound 4 indicates OL behavior at 2.4 x 10(-3) M concentration. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jpcs.2007.08.012