sodium hydrogen benzoylphosphonate | 123820-73-5

• 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: sodium hydrogen benzoylphosphonate
• 英文别名: Sodium;benzoyl(hydroxy)phosphinate
• CAS: 123820-73-5
• 化学式: C₇H₆O₄P*Na
• 分子量: 208.086
• InChiKey: VVWXMOGKKWIKFO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.62
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium hydrogen benzoylphosphonate 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 以57%的产率得到(α-hydroxybenzyl)phosphonic acid
  参考文献：
  名称：

  Direct Approach to α-Hydroxyphosphonic and α,ω-Dihydroxyalkane-α,ω-bisphosphonic Acids by the Reduction of (Bis)acylphosphonic Acids

  摘要：

  Acylphosphonic and bisacylphosphonic acid sodium salts were directly reduced by sodium borohydride to the corresponding hydroxyphosphonates and dihydroxyalkanebisphosphonates. The solution conformation of the (bis)hydroxyphosphonic acid sodium salts, elucidated from the homonuclear and heteronuclear coupling constants of the proton adjacent to the hydroxy and the phosphonic groups, was identical with the solid-state conformation as determined for 1-hydroxy-2-phenylethylphosphonic acid, a representative compound, by X-ray crystallography.

  DOI：

  10.1021/jo9803129
• 作为产物：
  描述：

  diisopropyl benzoylphosphonate 在 三甲基溴硅烷 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以79%的产率得到sodium hydrogen benzoylphosphonate
  参考文献：
  名称：

  Efficient and Selective Dealkylation of Phosphonate Diisopropyl Esters Using Me3SiBr

  摘要：

  DOI：

  10.1016/00404-0399(50)1334e-

文献信息

• Karaman, Rafik; Goldblum, Amiram; Breuer, Eli, Journal of the Chemical Society. Perkin transactions I, 1989, # 4, p. 765 - 774
  作者：Karaman, Rafik、Goldblum, Amiram、Breuer, Eli、Leader, Haim

  DOI：——

  日期：——
• Efficient and Selective Dealkylation of Phosphonate Diisopropyl Esters Using Me3SiBr
  作者：C Salomon

  DOI：10.1016/00404-0399(50)1334e-

  日期：1995.9.11
• Direct Approach to α-Hydroxyphosphonic and α,ω-Dihydroxyalkane-α,ω-bisphosphonic Acids by the Reduction of (Bis)acylphosphonic Acids
  作者：Ravit Chen、Eli Breuer

  DOI：10.1021/jo9803129

  日期：1998.7.1

  Acylphosphonic and bisacylphosphonic acid sodium salts were directly reduced by sodium borohydride to the corresponding hydroxyphosphonates and dihydroxyalkanebisphosphonates. The solution conformation of the (bis)hydroxyphosphonic acid sodium salts, elucidated from the homonuclear and heteronuclear coupling constants of the proton adjacent to the hydroxy and the phosphonic groups, was identical with the solid-state conformation as determined for 1-hydroxy-2-phenylethylphosphonic acid, a representative compound, by X-ray crystallography.