1,3-diphenyl-2,2,4,4-tetrachloro-2',4'-bis(3-amino-9-methoxy-1-p-tolyl-3H-benzo[f]chromene-2-carbonitrile) cyclodiphosph(V)azane | 1229520-65-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 1,3-diphenyl-2,2,4,4-tetrachloro-2',4'-bis(3-amino-9-methoxy-1-p-tolyl-3H-benzo[f]chromene-2-carbonitrile) cyclodiphosph(V)azane
• 英文别名: 9-methoxy-1-(4-methylphenyl)-3-[[2,2,4,4-tetrachloro-4-[[2-cyano-9-methoxy-1-(4-methylphenyl)-3H-benzo[f]chromen-3-yl]amino]-1,3-diphenyl-1,3,2lambda5,4lambda5-diazadiphosphetidin-2-yl]amino]-3H-benzo[f]chromene-2-carbonitrile；9-methoxy-1-(4-methylphenyl)-3-[[2,2,4,4-tetrachloro-4-[[2-cyano-9-methoxy-1-(4-methylphenyl)-3H-benzo[f]chromen-3-yl]amino]-1,3-diphenyl-1,3,2λ5,4λ5-diazadiphosphetidin-2-yl]amino]-3H-benzo[f]chromene-2-carbonitrile
• CAS: 1229520-65-3
• 化学式: C₅₆H₄₄Cl₄N₆O₄P₂
• 分子量: 1068.76
• InChiKey: ZDMZZJWKRWOJJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  72
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,3-diphenyl-2,2,2,4,4,4-hexachloro-1,3-diaza-2,4-diphosphetidine 、 3-amino-9-methoxy-1-p-tolyl-3H-benzo[f]chromene-2-carbonitrile 以 乙腈 为溶剂， 以90%的产率得到1,3-diphenyl-2,2,4,4-tetrachloro-2',4'-bis(3-amino-9-methoxy-1-p-tolyl-3H-benzo[f]chromene-2-carbonitrile) cyclodiphosph(V)azane
  参考文献：
  名称：

  Studies on the Chelation of Cyclodiphosph(V)azane Complexes of Co(II), Ni(II), Cu(II), and Pd(II): Preparation, Characterization, Thermal, Solid State Electrical Conductivity, and Biological Activity Studies

  摘要：

  Cyclodiphosph(V)azane of chromene, (1,3-diphenyl-2,4-bis(3-amino-9-methoxy-1- tolyl-3H-benzo[f]chromene-2-carbonitrile)-2,2,4,4-tetrachlorocyclodiphosph(V)azane (III), reacts with stoichiometric amounts of transition metal salts such as Co(II), Ni(II), Cu(II), and Pd(II) to afford colored complexes in a moderate to high yield. The structure of the isolated complexes was suggested based on elemental analyses, IR, molar conductance, UV-Vis, H-1, C-13, and P-31-NMR, magnetic susceptibility measurements, and dark electrical conductivity of solid state from room temperature up to 450 K. The complexes have been investigated in solution by spectrophotometric molar ratio and conductometric methods. Kinetic and thermodynamic parameters were computed from the thermal decomposition data using the Coats and Redfern method. The prepared complexes showed high to moderate bactericidal activity compared with the ligand.

  DOI：

  10.1080/10426500802505507

文献信息

• Studies on the Chelation of Cyclodiphosph(V)azane Complexes of Co(II), Ni(II), Cu(II), and Pd(II): Preparation, Characterization, Thermal, Solid State Electrical Conductivity, and Biological Activity Studies
  作者：Abdel-Nasser M. A. Alaghaz、Reda A. Ammar、Hany M. Mohamed

  DOI：10.1080/10426500802505507

  日期：2009.9.18

  Cyclodiphosph(V)azane of chromene, (1,3-diphenyl-2,4-bis(3-amino-9-methoxy-1- tolyl-3H-benzo[f]chromene-2-carbonitrile)-2,2,4,4-tetrachlorocyclodiphosph(V)azane (III), reacts with stoichiometric amounts of transition metal salts such as Co(II), Ni(II), Cu(II), and Pd(II) to afford colored complexes in a moderate to high yield. The structure of the isolated complexes was suggested based on elemental analyses, IR, molar conductance, UV-Vis, H-1, C-13, and P-31-NMR, magnetic susceptibility measurements, and dark electrical conductivity of solid state from room temperature up to 450 K. The complexes have been investigated in solution by spectrophotometric molar ratio and conductometric methods. Kinetic and thermodynamic parameters were computed from the thermal decomposition data using the Coats and Redfern method. The prepared complexes showed high to moderate bactericidal activity compared with the ligand.