zinc(II)-2-amino-9,10,16,17,23,24-hexa(hexylthio)phthalocyaninehydrochloride | 543701-32-2

• 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: zinc(II)-2-amino-9,10,16,17,23,24-hexa(hexylthio)phthalocyaninehydrochloride
• CAS: 543701-32-2
• 化学式: C₆₈H₉₀N₉S₆Zn*Cl
• 分子量: 1326.76
• InChiKey: KQLGEKYZFHYELO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  三聚氯氰 、 zinc(II)-2-amino-9,10,16,17,23,24-hexa(hexylthio)phthalocyaninehydrochloride 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到2,4,6-tris[2-amino-9,10,16,17,23,24-hexa(hexylthio)phthalocyaninatozinc(II)]-s-triazine
  参考文献：
  名称：

  Synthesis and characterization of a triazine containing three phthalocyanines

  摘要：

  A new trimeric-s-triazine containing three amino zinc(II) phthalocyanines has been prepared by following the multistep reactions of unsymmetrical substituted phthalocyanines. The zinc(II) phthalocyanine containing an unsymmetrical substituted nitro group was synthesized by means of the well-known statistically mixing method of two different plithalonitriles. 4-Nitrophthalonitrile and 4,5-bis(hexylthio)phthalonitrile were tetramerized in DMF in the presence of zinc acetate at elevated temperature to give a zinc(II) complex, which was then separated by column chromatography on silica gel. The nitro compound was reduced to the amine form by using sodium sulfide as the reducing agent and its ammonium salt was obtained by reaction with gaseous HCl. This compound was then reacted with cyanuric chloride in the presence of potassium carbonate as a base in THF and an interesting trimeric-s-triazine, containing three amino zinc(II) phthalocyanines, was synthesized. The separation of the product was carried out by column chromatography on silica gel. The new compounds were characterized by elemental analysis and UV/VIS, IR, NMR spectra. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00003-2
• 作为产物：
  描述：

  盐酸 、 [3-nitro-9,10,16,17,23,24-hexakis(hexylthio)-phthalocyaninato zinc(II)] 在 sodium sulfide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以96%的产率得到zinc(II)-2-amino-9,10,16,17,23,24-hexa(hexylthio)phthalocyaninehydrochloride
  参考文献：
  名称：

  Synthesis and characterization of a triazine containing three phthalocyanines

  摘要：

  A new trimeric-s-triazine containing three amino zinc(II) phthalocyanines has been prepared by following the multistep reactions of unsymmetrical substituted phthalocyanines. The zinc(II) phthalocyanine containing an unsymmetrical substituted nitro group was synthesized by means of the well-known statistically mixing method of two different plithalonitriles. 4-Nitrophthalonitrile and 4,5-bis(hexylthio)phthalonitrile were tetramerized in DMF in the presence of zinc acetate at elevated temperature to give a zinc(II) complex, which was then separated by column chromatography on silica gel. The nitro compound was reduced to the amine form by using sodium sulfide as the reducing agent and its ammonium salt was obtained by reaction with gaseous HCl. This compound was then reacted with cyanuric chloride in the presence of potassium carbonate as a base in THF and an interesting trimeric-s-triazine, containing three amino zinc(II) phthalocyanines, was synthesized. The separation of the product was carried out by column chromatography on silica gel. The new compounds were characterized by elemental analysis and UV/VIS, IR, NMR spectra. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00003-2