2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone | 1160274-36-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone
• 英文别名: 4-methyl-N-[2-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide
• CAS: 1160274-36-1
• 化学式: C₂₂H₁₉N₅O₂S
• 分子量: 417.491
• InChiKey: JQAXDCPWCMYSSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone 、 nickel diacetate 以 甲醇 为溶剂， 生成 [Ni(2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone(-H))2]
  参考文献：
  名称：

  Transition metal complexes with 2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone

  摘要：

  2-(N-Tosylamino)benzaldehyde 1-phthalazinylhydrazone (H2L) and its complexes with Cu(II), Ni(II), and Mn(II) were obtained. The acid-basic properties of the hydrazone were studied using potentiometry and spectrophotometry. The experimental data were compared with the results of quantum-chemical DFT calculations. The structure of the binuclear complex [Cu2L2] was determined using X-ray diffraction. The broken symmetry approach was used to calculate the exchange coupling constant of the copper ions.

  DOI：

  10.1134/s1070328411060078
• 作为产物：
  描述：

  盐酸肼屈嗪 、 N-(2-甲酰基苯基)-4-甲基苯磺酰胺 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以60%的产率得到2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone
  参考文献：
  名称：

  Transition metal complexes with 2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone

  摘要：

  2-(N-Tosylamino)benzaldehyde 1-phthalazinylhydrazone (H2L) and its complexes with Cu(II), Ni(II), and Mn(II) were obtained. The acid-basic properties of the hydrazone were studied using potentiometry and spectrophotometry. The experimental data were compared with the results of quantum-chemical DFT calculations. The structure of the binuclear complex [Cu2L2] was determined using X-ray diffraction. The broken symmetry approach was used to calculate the exchange coupling constant of the copper ions.

  DOI：

  10.1134/s1070328411060078

文献信息

• Transition metal complexes with 2-(N-tosylamino)benzaldehyde 1-phthalazinylhydrazone
  作者：L. D. Popov、I. N. Shcherbakov、S. I. Levchenkov、Yu. P. Tupolova、A. S. Burlov、G. G. Aleksandrov、V. V. Lukov、V. A. Kogan

  DOI：10.1134/s1070328411060078

  日期：2011.7

  2-(N-Tosylamino)benzaldehyde 1-phthalazinylhydrazone (H2L) and its complexes with Cu(II), Ni(II), and Mn(II) were obtained. The acid-basic properties of the hydrazone were studied using potentiometry and spectrophotometry. The experimental data were compared with the results of quantum-chemical DFT calculations. The structure of the binuclear complex [Cu2L2] was determined using X-ray diffraction. The broken symmetry approach was used to calculate the exchange coupling constant of the copper ions.