4-(4-hydroxy-3-methylphenyl)butan-2-one | 125101-98-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(4-hydroxy-3-methylphenyl)butan-2-one
• 英文别名: 2-methyl-4-(3-oxobutyl)phenol；4-(4-hydroxy-3-methyl-phenyl)-butan-2-one；4-(4-Hydroxy-3-methyl-phenyl)-butan-2-on；4-(4-Hydroxy-3-methylphenyl) butan-2-one
• CAS: 125101-98-6
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: ULLYEXPLDIEKCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  301.9±27.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 钯 、 乙酸乙酯 作用下， 生成 4-(4-hydroxy-3-methylphenyl)butan-2-one
  参考文献：
  名称：

  Kin, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1943, vol. 63, p. 376,381

  摘要：

  DOI：

文献信息

• About the “physiological size” of fluorine substituents: Comparison of sensorially active compounds with fluorine and methyl substituted analogues
  作者：Manfred Schlosser、Dominique Michel

  DOI：10.1016/0040-4020(95)00886-d

  日期：1996.1

  taste of four fluoro substituted derivatives (2a, 2b, 2c and 2d) is almost indistinguishable from that of the parent compound 4-(4-hydroxyphenyl)butan-2-one (1), the main flavor component of raspberries. The same holds for the comparison between the corresponding acetate, another raspberry ingredient, and its 1-fluoro analogue (2e). In contrast, methyl substituents (as present in compounds 3a, 3b, 3c

  四种氟取代衍生物（2a，2b，2c和2d）的味道与树莓的主要风味成分母体化合物4-（4-羟苯基）丁-2--2-（1）几乎没有区别。相应的乙酸盐，另一种覆盆子成分及其1-氟类似物（2e）之间的比较也是如此。相反，甲基取代基（存在于化合物3a，3b，3c，3d和3e中）会极大地改变感官特性。-氟化衍生物（2）的制备涉及将氟掺入有机分子骨架中的三个主要选择：“预制物”的使用（即氟代芳香族结构单元），先形成氯氟卡宾环加合物，然后将其溶剂解开环，再将氟化物加成至烯烃双键上。
• Highly Chemo- and Regioselective Reaction of Hydroxybenzenes in Acidic Ionic Liquid
  作者：Hui Guo、Yu Wei Zhuang、Jian Cao、Guo Bao Zhang

  DOI：10.5012/bkcs.2013.34.9.2594

  日期：2013.9.20

  Highly chemo- and regioselective reaction of hydroxybenzenes with $\alpha},\beta}$-unsaturated compounds in acidic ionic liquid l-butyl-3-methylimidazolium hydrogen sulphate ([BMIM]HSO4) was reported for the first time. A series of oxa-Michael adducts and Friedel-Crafts alkylated products were synthesized with good yields. The acidic ionic liquid could be easily recycled for at least 5 times with only minor loss in activity.

  首次报道了羟基苯与酸性离子液体l-丁基-3-甲基咪唑盐酸([BMIM]HSO4)中α,β-不饱和化合物的高度化学和区域选择性反应。合成了一系列oxa-Michael加成物和Friedel-Crafts烷基化产物，产率良好。酸性离子液体可轻松回收至少5次，活性仅有微小损失。
• INHIBITORS OF COGNITIVE DECLINE
  申请人：Rishton Gilbert M.

  公开号：US20120095105A1

  公开（公告）日：2012-04-19

  Compounds that are central nervous system drug candidates for the treatment of cognitive decline and, more particularly, Alzheimer's disease are provided. Methods of treating, inhibiting, and/or abatement of cognitive decline and/or Alzheimer's disease with a compound or pharmaceutically acceptable salt of the invention are also provided. Also provided are methods of preparing the compounds/compositions of the invention.

  本发明提供了用于治疗认知衰退，尤其是阿尔茨海默病的中枢神经系统药物候选化合物。本发明还提供了使用本发明的化合物或药学上可接受的盐来治疗、抑制和/或减轻认知衰退和/或阿尔茨海默病的方法。本发明还提供了制备该化合物/组合物的方法。
• 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：——
• Maki et al., Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1954, vol. 57, p. 42
  作者：Maki et al.

  DOI：——

  日期：——