4-(3,5-Dimethyl-4-hydroxyphenyl)butan-2-one | 91374-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(3,5-Dimethyl-4-hydroxyphenyl)butan-2-one
• 英文别名: 4-(3,5-dimethyl-4-hydroxyphenyl)-2-butanol；2,6-dimethyl-4-(3-oxobutyl)phenol；4-(4-hydroxy-3,5-dimethylphenyl)butan-2-one
• CAS: 91374-58-2
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: SNSOOXDAVQBQMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(3,5-Dimethyl-4-hydroxyphenyl)butan-2-one 在 氢氧化钾 、 potassium hexacyanoferrate(III) 作用下， 以 重水 、 苯 为溶剂， 反应 1.5h， 以56%的产率得到1,4-Di(3,5-dimethy-4-oxo-2,5-cyclohexadienylene)-2,3-diacetylbutane
  参考文献：
  名称：

  Titova, T. F.; Krysin, A. P., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, p. 540 - 543

  摘要：

  DOI：
• 作为产物：
  描述：

  4-Hydroxy-3,5-dimethyl-benzalaceton 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、800.01 kPa 条件下， 生成 4-(3,5-Dimethyl-4-hydroxyphenyl)butan-2-one
  参考文献：
  名称：

  10.1002/ejoc.202400267

  摘要：

  A catalytic strategy towards the tribromide‐catalyzed dearomative spirocyclization reaction is described employing tetrabutylammonium bromide (TBAB) and oxone as an oxidising agent. This methodology leads to the exclusive formation of spirofurano dienones without rearomatization or halogenation. Our group has been on trails of tribromide‐catalyzed dearomative transformation during the last decade, and now this exhibits the first report which delivers high functional group tolerance and broad substrate scope with excellent yield (up to 99%) and good diastereoselectivity (dr up to 14:1). The oxidation of naphthols as well as phenols is achieved under this mild conditions.

  DOI：

  10.1002/ejoc.202400267

文献信息

• COMPOUNDS
  申请人：Boyle Jessica

  公开号：US20080161288A1

  公开（公告）日：2008-07-03

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are agonists at the beta-2 adrenoceptor. They are useful as feed additives for livestock animals.

  化学式为（I）的化合物及其药学上可接受的盐是β-2肾上腺素受体激动剂。它们可用作家畜饲料添加剂。
• Electrochemical decarboxylative alkylation of β-ketoacids with phenol derivatives
  作者：Shan Wang、Zhaotian Wu、Junqiang Li、Yujun Zhu、Shaojun Zheng、Chunhui Jiang、Hongfei Lu

  DOI：10.1039/d3cc05489f

  日期：——

  An electrochemical method for the decarboxylative alkylation of β-ketoacids with phenol derivatives has been developed. The protocol was carried out in readily available unseparated cells at room temperature in the absence of catalysts and oxidants. The corresponding aryl ketones were obtained in satisfactory yields without additional electrolytes, and were easy to produce in gram-scale synthesis.

  开发了一种用苯酚衍生物对 β-酮酸进行脱羧烷基化的电化学方法。该方案是在室温下、在没有催化剂和氧化剂的情况下在容易获得的未分离的电池中进行的。无需额外电解质即可以令人满意的产率获得相应的芳基酮，并且易于在克级合成中生产。基于控制实验和循环伏安法，提出了一种合理的反应机理。
• Bunce, Richard A.; Reeves, Henry D., Synthetic Communications, 1989, vol. 19, # 5and6, p. 1109 - 1118
  作者：Bunce, Richard A.、Reeves, Henry D.

  DOI：——

  日期：——
• WO2008/44127
  申请人：——

  公开号：——

  公开（公告）日：——
• New derivatives of imidazoline 3-oxide and thiazoline with 2,6-dialkylphenol fragments
  作者：T. F. Titova、A. P. Krysin、V. V. Martin

  DOI：10.1007/bf00515423

  日期：1986.1