dimethyl (4-hydroxyimino-2-methylpent-2-yl)phosphonate | 329691-52-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: dimethyl (4-hydroxyimino-2-methylpent-2-yl)phosphonate
• 英文别名: dimephosphone oxime；N-(4-dimethoxyphosphoryl-4-methylpentan-2-ylidene)hydroxylamine
• CAS: 329691-52-3
• 化学式: C₈H₁₈NO₄P
• 分子量: 223.209
• InChiKey: YKRMUZMCTCKOHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 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：
  68.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl (4-hydroxyimino-2-methylpent-2-yl)phosphonate 在 lead dioxide 作用下， 以 甲苯 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Dimephosphone analogs: II. Dialkyl(diaryl)-(2-methyl-4-oxopent-2-yl)phosphine oxide oximes: Synthesis, structure, and generation of iminoxyl radicals

  摘要：

  Dialkyl(diaryl)-(2-methyl-4-oxopent-2-yl)phosphine oxide oximes have been synthesized for the first time. According to the X-ray diffraction data, these compounds in crystal exist as a single E isomer. Their structure in solution and the E/Z isomer ratio were determined by H-1 and C-13 NMR spectroscopy.

  DOI：

  10.1134/s107036321405020x
• 作为产物：
  描述：

  (1,1-二甲基-3-氧代丁基)膦酸二甲酯 在 盐酸羟胺 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 dimethyl (4-hydroxyimino-2-methylpent-2-yl)phosphonate
  参考文献：
  名称：

  Dimephosphone analogs: II. Dialkyl(diaryl)-(2-methyl-4-oxopent-2-yl)phosphine oxide oximes: Synthesis, structure, and generation of iminoxyl radicals

  摘要：

  Dialkyl(diaryl)-(2-methyl-4-oxopent-2-yl)phosphine oxide oximes have been synthesized for the first time. According to the X-ray diffraction data, these compounds in crystal exist as a single E isomer. Their structure in solution and the E/Z isomer ratio were determined by H-1 and C-13 NMR spectroscopy.

  DOI：

  10.1134/s107036321405020x