1-(2-hydroxy-5-methyl-phenyl)-octan-1-one | 36946-07-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-hydroxy-5-methyl-phenyl)-octan-1-one
• 英文别名: 1-(2-Hydroxy-5-methyl-phenyl)-octan-1-on；1-(2-Hydroxy-5-methylphenyl)-1-octanone；1-(2-hydroxy-5-methylphenyl)octan-1-one
• CAS: 36946-07-3
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: DMGCUJSOWDPZQG-UHFFFAOYSA-N

物化性质

• 沸点：
  341.6±22.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-hydroxy-5-methyl-phenyl)-octan-1-one 在 盐酸 、 amalgamated zinc 作用下， 生成 4-Methyl-2-octyl-phenol
  参考文献：
  名称：

  Kawai et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 660,664

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲酚 在 三氯化铝 、 三氯氧磷 作用下， 生成 1-(2-hydroxy-5-methyl-phenyl)-octan-1-one
  参考文献：
  名称：

  Kawai et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 660,664

  摘要：

  DOI：

文献信息

• Rosenmund; Schnurr, Justus Liebigs Annalen der Chemie, 1928, vol. 460, p. 89
  作者：Rosenmund、Schnurr

  DOI：——

  日期：——
• Microwave-induced deactivation-free catalytic activity of BEA zeolite in acylation reactions
  作者：B.M. Chandra Shekara、B.S. Jai Prakash、Y.S. Bhat

  DOI：10.1016/j.jcat.2012.03.005

  日期：2012.6

  Solventless liquid-phase acylation of p-cresol with different aliphatic carboxylic acids like acetic, propionic, butyric, hexanoic, octanoic, and decanoic acids was investigated over BEA zeolite under conventional as well as microwave heating. An unanticipated huge difference in activity was observed between two modes of heating. Under conventional heating, conversion of all the acids was less than 20%, while under microwave heating, the conversion was in the range of 50-80%. Ester formed through O-acylation and ortho-hydroxyketone formed through Fries rearrangement of the ester were the only products. Conversion of carboxylic acid increased with chain length up to hexanoic acid and then it showed a decrease in the trend. With all the acids, O-acylation occurred rapidly followed by slow conversion to ortho-hydroxyketone. The ketone/ester ratio increased with catalyst amount, temperature, and reaction time. Used catalyst samples were characterized by TGA, XRD, and IR studies to understand lower activity and deactivation behavior under conventional heating. The results showed absence of coke precursor/coke on the catalyst used in microwave-irradiated reactions in contrast to catalyst used in conventionally heated ones. Higher yield in the case of microwave-assisted reactions is attributed to the prevention of coke precursor/coke on the active sites by microwaves. (c) 2012 Elsevier Inc. All rights reserved.
• 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：——
• Kawai et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 660,664
  作者：Kawai et al.

  DOI：——

  日期：——