β-methyl-β-hydroxy-γ-nitropropyl ester of isobutyric acid | 82605-10-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-methyl-β-hydroxy-γ-nitropropyl ester of isobutyric acid
• 英文别名: 3-isobutyryloxy-2-methyl-2-hydroxy-1-nitropropane；(2-hydroxy-2-methyl-3-nitropropyl) 2-methylpropanoate
• CAS: 82605-10-5
• 化学式: C₈H₁₅NO₅
• 分子量: 205.211
• InChiKey: NGXOPOUKFDRSHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基丙酸-2-甲基-2-丙烯酯 在 nitronium tetrafluoborate 、 水 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 以70%的产率得到β-methyl-β-hydroxy-γ-nitropropyl ester of isobutyric acid
  参考文献：
  名称：

  Synthesis of hydroxynitroalkyl esters and the study of their effect on the metabolism of sulfate-reducing bacteria

  摘要：

  Novel hydroxynitroalkyl esters possessing bactericidal properties with respect to sulfate-reducing bacteria were synthesized. Optimal conditions for the synthesis of hydroxynitroalkyl esters were found, and their structure was confirmed by H-1 NMR and IR spectroscopy. It was shown that 3-acetoxy-2-hydroxy-2-methyl-1-nitro- and 4-pivaloxy-2-methyl-2-hydroxy-1-nitrobutane exhibit high antibacterial activity (50mg/l) with respect to sulfate-reducing bacteria.

  DOI：

  10.1134/s0965544107020132

文献信息

• Formation of 1,3-dioxolenium salts by the AdE-reaction of nitronium Tetrafluoroborates with allyl esters
  作者：I.G. Murskulov、A.G. Talybov、W.A. Smit

  DOI：10.1016/s0040-4039(00)87592-9

  日期：1982.1
• Reaction between nitronium tetrafluoroborate and allyl esters
  作者：I. G. Mursakulov、A. G. Talybov、S. A. Parokhim、V. A. Smit

  DOI：10.1007/bf00949953

  日期：1982.5
• MURSAKULOV, I. G.;TALYBOV, A. G.;PAROXIN, S. A.;SMIT, V. A., IZV. AN CCCP. CEP. XIM., 1982, N 5, 1101-1107
  作者：MURSAKULOV, I. G.、TALYBOV, A. G.、PAROXIN, S. A.、SMIT, V. A.

  DOI：——

  日期：——
• TALYBOV, A. G.;ASLANOVA, M. R.;GUSEJNOV, M. M.;MURSAKULOV, I. G.;SMIT, V.+, DOKL. AN AZSSR, 1982, 38, N 8, 28-31
  作者：TALYBOV, A. G.、ASLANOVA, M. R.、GUSEJNOV, M. M.、MURSAKULOV, I. G.、SMIT, V.+

  DOI：——

  日期：——
• Synthesis of hydroxynitroalkyl esters and the study of their effect on the metabolism of sulfate-reducing bacteria
  作者：A. G. Talybov、V. M. Abbasov、L. I. Alieva、L. A. Makhmudova

  DOI：10.1134/s0965544107020132

  日期：2007.3

  Novel hydroxynitroalkyl esters possessing bactericidal properties with respect to sulfate-reducing bacteria were synthesized. Optimal conditions for the synthesis of hydroxynitroalkyl esters were found, and their structure was confirmed by H-1 NMR and IR spectroscopy. It was shown that 3-acetoxy-2-hydroxy-2-methyl-1-nitro- and 4-pivaloxy-2-methyl-2-hydroxy-1-nitrobutane exhibit high antibacterial activity (50mg/l) with respect to sulfate-reducing bacteria.