diisopropyl hydroxy(4-nitrophenyl)methylphosphonate | 67691-78-5

• 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: diisopropyl hydroxy(4-nitrophenyl)methylphosphonate
• 英文别名: 4-Nitro-α-hydroxy-benzylphosphonsaeure-diisopropylester；[hydroxy-(4-nitro-phenyl)-methyl]-phosphonic acid diisopropyl ester；Di(propan-2-yloxy)phosphoryl-(4-nitrophenyl)methanol
• CAS: 67691-78-5
• 化学式: C₁₃H₂₀NO₆P
• 分子量: 317.279
• InChiKey: LPFODHLIMXAGEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  亚磷酸二异丙酯 、 对硝基苯甲醛 在 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以43%的产率得到diisopropyl hydroxy(4-nitrophenyl)methylphosphonate
  参考文献：
  名称：

  Synthesis, Characterizations, and Crystal Structures of α-Hydroxyphosphonic Acid Esters

  摘要：

  This article describes the synthesis of alpha-hydroxyphosphonic acid esters using the Pudovik reaction. IR, 1H NMR, 13C NMR, 31P NMR, MS, and elemental analysis were employed to confirm their structures. X-ray structure analysis is reported for six compounds. The antibacterial activities of these compounds are also reported. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

  DOI：

  10.1080/10426500903299935

文献信息

• Copper-Catalyzed Synthesis of α-Hydroxy Phosphonates from<i>H</i>-Phosphonates and Alcohols or Ethers
  作者：Zengxiang Zhao、Wanhua Xue、Yuxing Gao、Guo Tang、Yufen Zhao

  DOI：10.1002/asia.201201062

  日期：2013.4

  Easy PC: α‐Hydroxy phosphonates were synthesized by copper/tert‐butyl hydroperoxide (TBHP)‐catalyzed oxidative addition reactions of H‐phosphonates with alcohols or ethers. Diverse α‐hydroxy phosphonates were obtained from substituted benzyl alcohols or alkyl alcohols and alkyl ethers in moderate to good yields.

  Easy PC：α-羟基膦酸酯是通过铜/叔丁基氢过氧化物（TBHP）催化的H-膦酸酯与醇或醚的氧化加成反应合成的。从取代的苄醇或烷基醇和烷基醚以中等到良好的产率获得了多种α-羟基膦酸酯。