(2-羟基苯氧基)-苯基次膦酸 | 7282-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2-羟基苯氧基)-苯基次膦酸
• 英文名称: phenylphosphonic acid mono(2-hydroxy-phenyl)ester
• 英文别名: Phenylphosphonic Acid (2-Hydroxyphenyl) Ester；2-hydroxyphenyl-phenylphosphonate；phenyl-phosphonic acid mono-(2-hydroxy-phenyl ester)；Phenyl-phosphonsaeure-mono-(2-hydroxy-phenylester)；Phenylphosphonsaeure-<2-hydroxy-phenylester>；2-Hydroxyphenyl hydrogen phenylphosphonate；(2-hydroxyphenoxy)-phenylphosphinic acid
• CAS: 7282-99-7
• 化学式: C₁₂H₁₁O₄P
• 分子量: 250.191
• InChiKey: ZUYHQYFVRYEXCT-UHFFFAOYSA-N

物化性质

• 熔点：
  123-124 °C
• 沸点：
  420.6±47.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-phenyl-1,3,2-benzodioxaphosphole 以 乙醚 为溶剂， 反应 1.0h， 生成 (2-羟基苯氧基)-苯基次膦酸
  参考文献：
  名称：

  三价磷化合物与含可移动氢原子的叠氮化物的反应：膦偶氮化合物螺环化机理的构想

  摘要：

  研究α-叠氮基羧酸，N-（2-叠氮基乙基）酰胺和N-（2-叠氮基乙基）胺与三价P化合物的反应表明，中间体磷酸偶氮化合物分子内环化为螺磷phosph烷是叠氮化物的典型叠氮化物第一种和第三种，但不是第二种。结论是，仅当起始叠氮化物的官能团包含足够移动的氢原子或高度亲核的含质子的基团时，这样的环化才是可能的。已经开发了生产咪唑啉和恶唑啉的新的通用方法。

  DOI：

  10.1016/s0040-4020(01)96459-2

文献信息

• Korth, Hans-Gert; Lommes, Petra, Chemische Berichte, 1992, vol. 125, # 11, p. 2419 - 2438
  作者：Korth, Hans-Gert、Lommes, Petra

  DOI：——

  日期：——
• The structures of phenylphosphonic-acid-mono-(2-hydroxy-phenyl)ester and phenylphosphonic-acid-mono-(3-hydroxy-naphthalen-2-yl)ester – A combined experimental and theoretical study
  作者：Richard Betz

  DOI：10.1016/j.poly.2014.11.017

  日期：2015.2

  Two ester derivatives of phenylphosphonic acid were prepared from vicinal aromatic diols and phenylphosphonic dichloride in one-step procedures. The products were characterized by means of multi-nuclear NMR spectroscopy (H-1, C-13, P-31) mass spectrometry, elemental analysis. UV-Vis spectroscopy, and melting point as well as vibrational spectroscopy. Their molecular structures were determined by single crystal X-ray diffraction and found to be open-chain half-esters of the respective diols. Intermolecular contacts and hydrogen bonding were analyzed. Born-Haber-cycles based on DFT calculations were conducted for the partial hydrolysis of the assumed cyclic phenylphosphonates to assess the reaction energies for the partial P-O-C cleavage of the chelate rings. The observed partial hydrolysis was rationalized on grounds of molecular orbital considerations. Experimental data were correlated to DFT data. The bonding situation of the two compounds was described by means of NBO analyses. (C) 2014 Elsevier Ltd. All rights reserved.
• GOLOLOBOV, YU. G.;GUSAR, N. I.;CHAUS, M. P., TETRAHEDRON, 1985, 41, N 4, 793-799
  作者：GOLOLOBOV, YU. G.、GUSAR, N. I.、CHAUS, M. P.

  DOI：——

  日期：——