3-[3,4-(methylenedioxy)phenoxy]phthalonitrile | 1193808-12-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[3,4-(methylenedioxy)phenoxy]phthalonitrile
• 英文别名: 3-[3,4-(methylendioxy)-phenoxy]-phthalonitrile；3-(1,3-Benzodioxol-5-yloxy)benzene-1,2-dicarbonitrile；3-(1,3-benzodioxol-5-yloxy)benzene-1,2-dicarbonitrile
• CAS: 1193808-12-6
• 化学式: C₁₅H₈N₂O₃
• 分子量: 264.24
• InChiKey: VIZXEFDULIVMDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[3,4-(methylenedioxy)phenoxy]phthalonitrile 、 manganese(II) acetate 在 1,8-diazabicyclo[5.4.0]undec-7-ene 作用下， 以 further solvent(s) 为溶剂， 生成 tetrakis[3,4-(methylenedioxy)phenoxy]phthalocyaninato manganese(III) acetate
  参考文献：
  名称：

  Erdomu, Ali; Akinbulu, Isaac Adebayo; Nyokong, Tebello, Polyhedron, 2010, vol. 29, # 11, p. 2352 - 2363

  摘要：

  DOI：

文献信息

• New soluble methylendioxy-phenoxy-substituted zinc phthalocyanine derivatives: Synthesis, photophysical and photochemical studies
  作者：Ali Erdoğmuş、Tebello Nyokong

  DOI：10.1016/j.poly.2009.06.019

  日期：2009.9

  The syntheses of new three phthalonitriles (1, 2 and 3), together with photophysical and photochemical properties of the resulting peripherally and non-peripherally tetrakis- and octakis 3,4-(methylendioxy)-phenoxy-substituted zinc phthalocyanines (4, 5 and 6) are described for the first time. Complexes 4, 5 and 6 have been synthesized and characterized by elemental analysis, IR, H-1 NMR spectroscopy, electronic spectroscopy and mass spectra. Complexes 4, 5 and 6 have good solubility in organic solvents such as CHCl3, DCM, DMSO, DMF, THF and toluene and are mainly not aggregated (except for complex 6 in DMSO) within a wide concentration range. General trends are described for singlet oxygen, photodegradation, fluorescence quantum yields, triplet quantum yields and triplet life times of these complexes in DMSO and toluene. Complex 4 has higher singlet oxygen quantum yields, fluorescence quantum yields, triplet quantum yields and triplet life times than complexes 5 and 6. The effect of the solvents on the photophysical and photochemical parameters of the zinc(II) phthalocyanines (4, 5 and 6) are also reported. (C) 2009 Elsevier Ltd. All rights reserved.
• Erdomu, Ali; Akinbulu, Isaac Adebayo; Nyokong, Tebello, Polyhedron, 2010, vol. 29, # 11, p. 2352 - 2363
  作者：Erdomu, Ali、Akinbulu, Isaac Adebayo、Nyokong, Tebello

  DOI：——

  日期：——