2-(2-hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine | 382174-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-(2-hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine
• 英文别名: 2-(2-hydroxyphenyl)-4,4-diphenyl-1,4-dihydro-2H-1,3-benzoxazine；2-(2-hydroxyphenyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine；Phenol, 2-(1,4-dihydro-4,4-diphenyl-2H-3,1-benzoxazin-2-yl)-；2-(4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl)phenol
• CAS: 382174-92-7
• 化学式: C₂₆H₂₁NO₂
• 分子量: 379.458
• InChiKey: FKEXVKROWRMIGK-UHFFFAOYSA-N

物化性质

• 熔点：
  160-170 °C
• 沸点：
  524.5±50.0 °C(Predicted)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine 、 copper diacetate 以 乙醇 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  The copper(II) acetate complex with 2-(2-Hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine

  摘要：

  The Cu(II) acetate complex with 2-(2-hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine (L) was synthesized for the first time and structurally studied by X-ray diffraction. The complex crystallizes as two crystallographically independent centrosymmetric binuclear molecules [Cu-2(mu-L)(2)Ac-2] of similar structure, where L occurs as azomethin tautomeric form. The ligand performs tridentate chelate-bridging function. Each Cu atom exhibits extended tetragonal-pyramidal coordination by two O atoms and the N atom of one ligand L in the equatorial plane and by the O atom of the second ligand L in the axial position. The fourth equatorial position in the metal coordination polyhedron is occupied by the O atom of monodentate terminal acetate group.

  DOI：

  10.1134/s1070328407090096
• 作为产物：
  描述：

  (2-aminophenyl)diphenylmethanol 、 水杨醛 以 溶剂黄146 为溶剂， 以75%的产率得到2-(2-hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine
  参考文献：
  名称：

  Studies of 4H-3,1-benzoxazines. 14. Structure and some properties of 2-[2-hydroxyphenyl(naphthyl)]-1,2-dihydro-4H-3,1-benzoxazines

  摘要：

  DOI：

  10.1007/s10593-006-0205-0

文献信息

• Synthesis and study of copper(II), nickel(II), and cobalt(II) complex compounds with dihydrobenzoxazine derivatives
  作者：T. E. Apenysheva、K. S. Pushkareva、S. N. Bolotin、V. Yu. Frolov、F. A. Kolokolov、E. V. Gromachevskaya、A. A. Borodavko、T. P. Kosulina

  DOI：10.1134/s1070363206040244

  日期：2006.4

  Complex compounds ML2 of copper(II), nickel(II), and cobalt(II) with 2-(2-hydroxy-5-nitrophenyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine and 2-(2-hydroxyphenyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine (HL) were prepared by electrochemical and chemical syntheses. The complex formation involves the azomethine form of the ligand and gives a six-membered chelate cycle comprising deprotonated phenol and azomethine groups. The coordination entity has a planar structure with trans arrangement of the nitrogen and oxygen atoms.
• Synthesis of copper(II) coordination compounds with benzoxazine derivatives
  作者：A. I. Oflidi、T. E. Apenysheva、K. S. Pushkaryova、V. Yu. Frolov、S. N. Bolotin、F. A. Kolokolov、V. T. Panyushkin

  DOI：10.1134/s0036023609010136

  日期：2009.1

  Copper(II) complexes with 1,2-dihydro-4H-3,1-benzoxazine(HL) derivatives, CuLOH, were prepared by anodic electrosynthesis. The use of an amalgamated copper anode resulted in an increase in the electrosynthesis rate. It follows from the IR spectra of the products that the benzoxazine ring in the ligand molecule is opened upon complexation, while a six-membered chelate ring involving the oxygen atom of the deprotonated phenol group and the imine nitrogen atom is formed.
• Studies of 4H-3,1-benzoxazines. 14. Structure and some properties of 2-[2-hydroxyphenyl(naphthyl)]-1,2-dihydro-4H-3,1-benzoxazines
  作者：E. V. Gromachevskaya、T. P. Kosulina、A. A. Borodavko

  DOI：10.1007/s10593-006-0205-0

  日期：2006.8
• The copper(II) acetate complex with 2-(2-Hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine
  作者：V. T. Panushkin、T. E. Apenysheva、V. I. Sokol、V. S. Sergienko、K. S. Pushkareva、S. N. Bolotin、F. A. Kolokolov、E. V. Gromachevskaya、A. A. Borodavko、T. P. Kosulina

  DOI：10.1134/s1070328407090096

  日期：2007.9

  The Cu(II) acetate complex with 2-(2-hydroxyphenyl)-4,4-diphenyl-1,2-dihydro-4H-3,1-benzoxazine (L) was synthesized for the first time and structurally studied by X-ray diffraction. The complex crystallizes as two crystallographically independent centrosymmetric binuclear molecules [Cu-2(mu-L)(2)Ac-2] of similar structure, where L occurs as azomethin tautomeric form. The ligand performs tridentate chelate-bridging function. Each Cu atom exhibits extended tetragonal-pyramidal coordination by two O atoms and the N atom of one ligand L in the equatorial plane and by the O atom of the second ligand L in the axial position. The fourth equatorial position in the metal coordination polyhedron is occupied by the O atom of monodentate terminal acetate group.