diethyl (4-{[(1E)-(2,4-dihydroxyphenyl)methylidene]amino}benzyl)phosphonate | 1243241-01-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: diethyl (4-{[(1E)-(2,4-dihydroxyphenyl)methylidene]amino}benzyl)phosphonate
• CAS: 1243241-01-1
• 化学式: C₁₈H₂₂NO₅P
• 分子量: 363.35
• InChiKey: CJYFQVBSHRFOBY-XDHOZWIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  88.35
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-氨基苄基磷酸二乙酯 、 2,4-二羟基苯甲醛 以 乙醇 为溶剂， 以87%的产率得到diethyl (4-{[(1E)-(2,4-dihydroxyphenyl)methylidene]amino}benzyl)phosphonate
  参考文献：
  名称：

  Structural characterization and electrochemical properties of novel salicylidene phosphonate derivatives

  摘要：

  In this study, three novel salicylidene phosphonate ligands, diethyl (4-{[(1E)-(2-hydroxyphenyl)methylidene]amino}benzyl)phosphonate (HL(1)), diethyl (4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}benzyl)phosphonate (HL(2)) and diethyl (4-{[(1E)-(2,4-dihydroxyphenyl)methylidene]amino}benzyl)phosphonate (HL(3)) were synthesized and characterized by the analytical and spectroscopic techniques. We obtained their single crystals from the ethanolic solution. There are intramolecular phenol-imine hydrogen bonds in all three compounds between O1 and N1 atoms. The ligand HL(3) contains a second phenol group and this is makes an intermolecular hydrogen bond with the phosphine oxide of a neighbouring molecule O2-O3 (under symmetry operation -x, 0.5 (+)y, 0.5 -z). In order to investigate the redox behaviours of the salicylidene phosphonate ligands (HL(1)-HL(3)), we were studied electrochemical properties of the ligands at the different pH and scan rates. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.05.011