4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13-pentaoxatridecamethylene)phthalocyaninato(acetato)scandium | 1125692-14-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13-pentaoxatridecamethylene)phthalocyaninato(acetato)scandium
• 英文别名: tetra(15-crown-5)phthalocyaninato(acetato)scandium
• CAS: 1125692-14-9
• 化学式: C₂H₃O₂*C₆₄H₇₂N₈O₂₀*Sc
• 分子量: 1377.32
• InChiKey: QZHXDJWBYNJJRC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  97.0
• 可旋转键数：
  0.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  330.27
• 氢给体数：
  0.0
• 氢受体数：
  28.0

反应信息

• 作为产物：
  描述：

  tris(acetylacetonato)scandium(III) 、 tetra-15-crown-5-phthalocyanine 、 溶剂黄146 以 氯仿 为溶剂， 以19%的产率得到4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13-pentaoxatridecamethylene)phthalocyaninato(acetato)scandium
  参考文献：
  名称：

  Crown-substituted Sc(III) phthalocyaninates: Synthesis and spectral properties

  摘要：

  The scandium(III) complexes with tetra(15-crown-5)phthalocyanine [Sc(R4Pc)(2)](center dot 0) (I) and Sc(R4Pc) center dot OAc (II) have been synthesized by condensation of Sc3+ with phthlocyanine H2R4Pc (4,5,4',5',4''',5'''-tetrakis(1,4,7,10,13-pentaoxatridecamethylene)phthalocyanine). Compounds I and II have been characterized by spectral methods: electronic absorption spectroscopy, MALDI-TOF MS, IR spectroscopy, and H-1 NMR. The redox properties of I and the photoluminescent properties of II have been studied.

  DOI：

  10.1134/s0036023607110204