2-[(diphenylphosphinoyl)methyl]benzoxazole | 1337540-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-[(diphenylphosphinoyl)methyl]benzoxazole
• 英文别名: 2-(Diphenylphosphorylmethyl)-1,3-benzoxazole；2-(diphenylphosphorylmethyl)-1,3-benzoxazole
• CAS: 1337540-37-0
• 化学式: C₂₀H₁₆NO₂P
• 分子量: 333.326
• InChiKey: QNHMXGWTHADWNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 ytterbium(III) nitrate pentahydrate 、 2-[(diphenylphosphinoyl)methyl]benzoxazole 以 甲醇 为溶剂， 以52%的产率得到[Yb(2-((diphenylphosphinoyl)methyl)benzoxazole)2(NO3)3(H2O)]*0.5CH3OH
  参考文献：
  名称：

  Synthesis and lanthanide coordination chemistry of 2-[(phosphinoyl)methyl]-4,5-dihydrooxazole and 2-[(phosphinoyl)methyl]benzoxazole ligands

  摘要：

  Syntheses for [(diphenylphosphinoyl)methyl]-4,5-dihydrooxazole (2) and [(diarylphosphinoyl)methyl]benzoxazoles [aryl = phenyl (3), tolyl (4), 2-trifluoromethylphenyl (5) and 3,5-bis(trifluoromethyl)phenyl (6)] have been developed. Each ligand has been characterized by spectroscopic methods and single crystal X-ray diffraction analyses have been completed for 2, 3, 4 and 5. The coordination chemistry of the ligands with Nd(NO(3))(3) and Yb(NO(3))(3) has been examined and structure determinations for [Nd(2)(2) (NO(3))(3)(CH(3)OH)], [Nd(2)(2)(NO(3))(3)], [Yb(3)(2)(NO(3))(3)(H(2)O)]center dot 0.5(CH(3)OH), [Nd(3)(2)(NO(3))(3)]center dot 3(CHCl(3)), [Nd(4)(2) (NO(3))(3)(H(2)O)], [Yb(4)(2)(NO(3))(3)(H(2)O)] and [Yb(5)(2)(NO(3))(3)(H(2)O)]center dot 0.5(CH(3)CN) are reported. Depending upon conditions, the ligands act as monodentate PO or bidentate, chelating PO,N donors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.08.012
• 作为产物：
  描述：

  2-氯甲基-1,3-苯并恶唑 、 二乙基亚磷酸氢酯 、 苯基溴化镁 以 四氢呋喃 为溶剂， 反应 12.0h， 以96%的产率得到2-[(diphenylphosphinoyl)methyl]benzoxazole
  参考文献：
  名称：

  Synthesis and lanthanide coordination chemistry of 2-[(phosphinoyl)methyl]-4,5-dihydrooxazole and 2-[(phosphinoyl)methyl]benzoxazole ligands

  摘要：

  Syntheses for [(diphenylphosphinoyl)methyl]-4,5-dihydrooxazole (2) and [(diarylphosphinoyl)methyl]benzoxazoles [aryl = phenyl (3), tolyl (4), 2-trifluoromethylphenyl (5) and 3,5-bis(trifluoromethyl)phenyl (6)] have been developed. Each ligand has been characterized by spectroscopic methods and single crystal X-ray diffraction analyses have been completed for 2, 3, 4 and 5. The coordination chemistry of the ligands with Nd(NO(3))(3) and Yb(NO(3))(3) has been examined and structure determinations for [Nd(2)(2) (NO(3))(3)(CH(3)OH)], [Nd(2)(2)(NO(3))(3)], [Yb(3)(2)(NO(3))(3)(H(2)O)]center dot 0.5(CH(3)OH), [Nd(3)(2)(NO(3))(3)]center dot 3(CHCl(3)), [Nd(4)(2) (NO(3))(3)(H(2)O)], [Yb(4)(2)(NO(3))(3)(H(2)O)] and [Yb(5)(2)(NO(3))(3)(H(2)O)]center dot 0.5(CH(3)CN) are reported. Depending upon conditions, the ligands act as monodentate PO or bidentate, chelating PO,N donors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.08.012