(E)-1-(2'-Hydroxy-5'-methylphenyl)-1-decanone oxime | 103582-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (E)-1-(2'-Hydroxy-5'-methylphenyl)-1-decanone oxime
• 英文别名: 1-(2-Hydroxy-5-methylphenyl)-1-decanone oxime；2-[(E)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
• CAS: 103582-40-7
• 化学式: C₁₇H₂₇NO₂
• 分子量: 277.407
• InChiKey: ZEOXTTGAOFTAKT-FBMGVBCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  52.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2-羟基-5-甲基苯基)癸-1-酮 在 吡啶 、 盐酸羟胺 作用下， 生成 (E)-1-(2'-Hydroxy-5'-methylphenyl)-1-decanone oxime
  参考文献：
  名称：

  Mass spectra of 1-(2′-hydroxy-5′-alkylphenyl)-1-alkanone (E)-oximes

  摘要：

  AbstractThe mass spectra of 1‐(2′‐hydroxy‐5′‐alkylphenyl)‐1‐ethanone (E)‐oximes 1–6 and 1‐(2′‐hydroxy‐5′‐methylphenyl)‐1‐alkanone (E)‐oximes 7–12 are given and the major fragmentation pathways discussed. The simultaneous loss of water and alkyl moieties from the molecular ion indicates that a skeletal rearrangement take place and a cycloheptatrienyloheterocyclic system is formed. The McLafferty rearrangement, γ‐fission in the side aliphatic chain and oxygen expulsion are discussed with evidence being drawn from accurate mass measurements, metastable ions and comparison with mass spectral data of related compounds.

  DOI：

  10.1002/oms.1210210108

文献信息

• Mass spectra of 1-(2′-hydroxy-5′-alkylphenyl)-1-alkanone (E)-oximes
  作者：Marek Łozyński、Ewa Krzyzanowska

  DOI：10.1002/oms.1210210108

  日期：1986.1

  AbstractThe mass spectra of 1‐(2′‐hydroxy‐5′‐alkylphenyl)‐1‐ethanone (E)‐oximes 1–6 and 1‐(2′‐hydroxy‐5′‐methylphenyl)‐1‐alkanone (E)‐oximes 7–12 are given and the major fragmentation pathways discussed. The simultaneous loss of water and alkyl moieties from the molecular ion indicates that a skeletal rearrangement take place and a cycloheptatrienyloheterocyclic system is formed. The McLafferty rearrangement, γ‐fission in the side aliphatic chain and oxygen expulsion are discussed with evidence being drawn from accurate mass measurements, metastable ions and comparison with mass spectral data of related compounds.
• Krzyzanowska, Ewa; Olszanowski, A.; Juskowiak, M., Journal fur praktische Chemie (Leipzig 1954), 1989, vol. 331, # 4, p. 617 - 630
  作者：Krzyzanowska, Ewa、Olszanowski, A.、Juskowiak, M.

  DOI：——

  日期：——