2,10-dimethyl-4,12-di(N-amino)-2-methylphenyl-1,5,9,13-tetraazacyclohexadecane-1,4,9,12-tetraene-6,8:14,16-bis(naphthalene) | 1341229-58-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,10-dimethyl-4,12-di(N-amino)-2-methylphenyl-1,5,9,13-tetraazacyclohexadecane-1,4,9,12-tetraene-6,8:14,16-bis(naphthalene)
• 英文别名: 5,19-dimethyl-3-N,17-N-bis(2-methylphenyl)-2,6,16,20-tetrazapentacyclo[19.7.1.17,11.025,29.015,30]triaconta-1(28),5,7,9,11(30),12,14,19,21,23,25(29),26-dodecaene-3,17-diimine
• CAS: 1341229-58-0
• 化学式: C₄₂H₃₈N₆
• 分子量: 626.804
• InChiKey: ANFTWGLAOYRMJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  48
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  73.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,10-dimethyl-4,12-di(N-amino)-2-methylphenyl-1,5,9,13-tetraazacyclohexadecane-1,4,9,12-tetraene-6,8:14,16-bis(naphthalene) 、 zinc(II) chloride 以 甲醇 为溶剂， 以42%的产率得到ZnCl₂(2,10-dimethyl-4,12-di(N-amino)-2-methylphenyl-1,5,9,13-tetraazacyclohexadecane-1,4,9,12-tetraene-6,8:14,16-bis(naphthalene)
  参考文献：
  名称：

  Synthesis, Spectroscopic Characterization, and In Vitro Antimicrobial Screening of 16-Membered Tetraazamacrocyclic Schiff-Base Ligand and its Complexes with Co(II), Ni(II), Cu(II), and Zn(II) Ions

  摘要：

  A 16-membered tetraazamacrocyclic ligand has been synthesized by condensation reaction of 2-methyl acetoacetanilide with 1,8-diaminonaphthalene, and the metal complexes of the type [MLCl(2)] [M = Co(II), Ni(II), Cu(II), Zn(II)] were prepared by interaction of the ligand with metal salts. The ligand and its complexes were characterized by various spectroscopic studies. The mode of bonding and the overall geometry of these complexes have been deduced by elemental analysis, molar conductance values, Fourier-transform infrared (FT-IR), (1)H-nuclear magnetic resonance (NMR), fast-atom bombardment (FAB) mass, electron paramagnetic resonance (EPR), and ultraviolet- visible (UV-VIS) spectroscopy along withmagnetic measurement studies. An octahedral geometry has been envisaged for all these complexes, while a distorted octahedral geometry has been noticed for the Cu(II) complex. The cyclic voltammograme of the Cu(II) complex exhibits a quasi-reversible one-electron transfer wave for the Cu(II)/Cu(I) couple. The low conductivity data of all the complexes suggest their nonionic nature. These complexes have also been screened against pathogenic bacteria and fungi in vitro as growth- inhibiting agents.

  DOI：

  10.1080/15533174.2011.591331
• 作为产物：
  描述：

  2'-甲基乙酰乙酰苯胺 、 1,8-二氨基萘 以 甲醇 为溶剂， 以52%的产率得到2,10-dimethyl-4,12-di(N-amino)-2-methylphenyl-1,5,9,13-tetraazacyclohexadecane-1,4,9,12-tetraene-6,8:14,16-bis(naphthalene)
  参考文献：
  名称：

  Synthesis, Spectroscopic Characterization, and In Vitro Antimicrobial Screening of 16-Membered Tetraazamacrocyclic Schiff-Base Ligand and its Complexes with Co(II), Ni(II), Cu(II), and Zn(II) Ions

  摘要：

  A 16-membered tetraazamacrocyclic ligand has been synthesized by condensation reaction of 2-methyl acetoacetanilide with 1,8-diaminonaphthalene, and the metal complexes of the type [MLCl(2)] [M = Co(II), Ni(II), Cu(II), Zn(II)] were prepared by interaction of the ligand with metal salts. The ligand and its complexes were characterized by various spectroscopic studies. The mode of bonding and the overall geometry of these complexes have been deduced by elemental analysis, molar conductance values, Fourier-transform infrared (FT-IR), (1)H-nuclear magnetic resonance (NMR), fast-atom bombardment (FAB) mass, electron paramagnetic resonance (EPR), and ultraviolet- visible (UV-VIS) spectroscopy along withmagnetic measurement studies. An octahedral geometry has been envisaged for all these complexes, while a distorted octahedral geometry has been noticed for the Cu(II) complex. The cyclic voltammograme of the Cu(II) complex exhibits a quasi-reversible one-electron transfer wave for the Cu(II)/Cu(I) couple. The low conductivity data of all the complexes suggest their nonionic nature. These complexes have also been screened against pathogenic bacteria and fungi in vitro as growth- inhibiting agents.

  DOI：

  10.1080/15533174.2011.591331

文献信息

• Synthesis, Spectroscopic Characterization, and <i>In Vitro</i> Antimicrobial Screening of 16-Membered Tetraazamacrocyclic Schiff-Base Ligand and its Complexes with Co(II), Ni(II), Cu(II), and Zn(II) Ions
  作者：Mohammad Shakir、Sadiqa Khanam、Mohammad Azam、Asad U. Khan、Farha Firdaus

  DOI：10.1080/15533174.2011.591331

  日期：2011.9.1

  A 16-membered tetraazamacrocyclic ligand has been synthesized by condensation reaction of 2-methyl acetoacetanilide with 1,8-diaminonaphthalene, and the metal complexes of the type [MLCl(2)] [M = Co(II), Ni(II), Cu(II), Zn(II)] were prepared by interaction of the ligand with metal salts. The ligand and its complexes were characterized by various spectroscopic studies. The mode of bonding and the overall geometry of these complexes have been deduced by elemental analysis, molar conductance values, Fourier-transform infrared (FT-IR), (1)H-nuclear magnetic resonance (NMR), fast-atom bombardment (FAB) mass, electron paramagnetic resonance (EPR), and ultraviolet- visible (UV-VIS) spectroscopy along withmagnetic measurement studies. An octahedral geometry has been envisaged for all these complexes, while a distorted octahedral geometry has been noticed for the Cu(II) complex. The cyclic voltammograme of the Cu(II) complex exhibits a quasi-reversible one-electron transfer wave for the Cu(II)/Cu(I) couple. The low conductivity data of all the complexes suggest their nonionic nature. These complexes have also been screened against pathogenic bacteria and fungi in vitro as growth- inhibiting agents.