7,9:16,18-dinaphthyl-1,3,4,6,10,12,13,15-octaazacyclooctadecane-1,5,10,14-tetraene | 1263407-20-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7,9:16,18-dinaphthyl-1,3,4,6,10,12,13,15-octaazacyclooctadecane-1,5,10,14-tetraene
• 英文别名: 3,6,18,21-Tetramethyl-2,4,5,7,17,19,20,22-octazapentacyclo[21.7.1.18,12.027,31.016,32]dotriaconta-1(30),2,6,8,10,12(32),13,15,17,21,23,25,27(31),28-tetradecaene
• CAS: 1263407-20-0
• 化学式: C₂₈H₂₈N₈
• 分子量: 476.584
• InChiKey: QTWZVLFWQKUCIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7,9:16,18-dinaphthyl-1,3,4,6,10,12,13,15-octaazacyclooctadecane-1,5,10,14-tetraene 、 cobalt(II) chloride 以 甲醇 为溶剂， 以72%的产率得到Cl2Co(7,9:16,18-dinaphthyl-1,3,4,6,10,12,13,15-octaazacyclooctadecane-1,5,10,14-tetraene)
  参考文献：
  名称：

  Synthesis, Physicochemical, and Antimicrobial Screening Studies of Complexes of Co(II), Ni(II), Cu(II), and Zn(II) with 18-membered Schiff Base Octaazamacrocyclic Ligand

  摘要：

  A [2 + 2] condensation reaction between 1,8-diaminonaph-thalene and N,N'-diacetylhydrazine in 1:1 molar ratio in methanol resulted in a novel Schiff base macrocyclic ligand, (L): 7,9:16,18-dinaphthyl-1,3,4,6,10,12,13,15-octaazacyclooctadecane-1,5,10,14-tetraene. Metal complexes have been synthesized by the reaction of L with the corresponding metal salts. The results of elemental analyses, ESI-mass, and Job's method ascertain their stoichiometry while the spectral data obtained from 1H and 13C NMR, and IR confirmed their bonding features. However, the stereochemistry was inferred from the UV-visible, EPR, and magnetic moment studies. The ligand and its complexes were screened in vitro against gram positive bacteria, gram negative bacteria, and fungi.

  DOI：

  10.1080/15533174.2010.522650
• 作为产物：
  描述：

  1,8-二氨基萘 、 N,N'-二乙酰基肼 以 甲醇 为溶剂， 反应 15.0h， 生成 7,9:16,18-dinaphthyl-1,3,4,6,10,12,13,15-octaazacyclooctadecane-1,5,10,14-tetraene
  参考文献：
  名称：

  Synthesis, Physicochemical, and Antimicrobial Screening Studies of Complexes of Co(II), Ni(II), Cu(II), and Zn(II) with 18-membered Schiff Base Octaazamacrocyclic Ligand

  摘要：

  A [2 + 2] condensation reaction between 1,8-diaminonaph-thalene and N,N'-diacetylhydrazine in 1:1 molar ratio in methanol resulted in a novel Schiff base macrocyclic ligand, (L): 7,9:16,18-dinaphthyl-1,3,4,6,10,12,13,15-octaazacyclooctadecane-1,5,10,14-tetraene. Metal complexes have been synthesized by the reaction of L with the corresponding metal salts. The results of elemental analyses, ESI-mass, and Job's method ascertain their stoichiometry while the spectral data obtained from 1H and 13C NMR, and IR confirmed their bonding features. However, the stereochemistry was inferred from the UV-visible, EPR, and magnetic moment studies. The ligand and its complexes were screened in vitro against gram positive bacteria, gram negative bacteria, and fungi.

  DOI：

  10.1080/15533174.2010.522650