4-butyryloxy-2-methyl-2-hydroxy-1-nitrobutane | 129501-31-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-butyryloxy-2-methyl-2-hydroxy-1-nitrobutane
• 英文别名: (3-hydroxy-3-methyl-4-nitrobutyl) butanoate
• CAS: 129501-31-1
• 化学式: C₉H₁₇NO₅
• 分子量: 219.238
• InChiKey: YJKYJMRZKHQNQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  3-methyl-but-3-en-1-yl butanoate 在 nitronium tetrafluoborate 、 水 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 以65%的产率得到4-butyryloxy-2-methyl-2-hydroxy-1-nitrobutane
  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

• MURSAKULOV, I. G.;AZIMZADE, A. A.;TALYBOV, A. G.;ASLANOVA, M. R., ZH. ORGAN. XIMII, 26,(1990) N, S. 909-911
  作者：MURSAKULOV, I. G.、AZIMZADE, A. A.、TALYBOV, A. G.、ASLANOVA, M. R.

  DOI：——

  日期：——
• Mursakulov, I. G.; Azimzade, A. A.; Talybov, A. G., Russian Journal of Organic Chemistry, 1990, vol. 26, # 4, p. 779 - 780
  作者：Mursakulov, I. G.、Azimzade, A. A.、Talybov, A. G.、Aslanova, M. R.

  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.