(2,4-dimethyl-phenoxy)-acetone | 21571-69-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2,4-dimethyl-phenoxy)-acetone
• 英文别名: (2,4-Dimethyl-phenoxy)-aceton；[2.4]Xylyloxy-aceton；1-(2,4-Dimethylphenoxy)propan-2-one
• CAS: 21571-69-7
• 化学式: C₁₁H₁₄O₂
• mdl: MFCD12145399
• 分子量: 178.231
• InChiKey: TUXSJVOJMLOTOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  120 °C(Press: 6 Torr)
• 密度：
  1.011±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2,4-dimethyl-phenoxy)-acetone 在 sodium tetrahydroborate 、 氯化亚砜 、 sodium ethanolate 、 potassium carbonate 、 溶剂黄146 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 丙酮 、 苯 为溶剂， 反应 40.0h， 生成 1-Butyl-5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)pyridin-4-one
  参考文献：
  名称：

  Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent

  摘要：

  We report the discovery, synthesis, and biological activities of phenoxy-4-pyrone and phenoxy-4-pyridone derivatives as novel inhibitors of enoyl-acyl carrier protein reductase (FabI). Pyridone derivatives showed better activities than pyrone derivatives against FabI and Staphylococcus aureus strains, including methicillin-resistant Staphylococcus aureus (MRSA). Among the pyridone derivatives, compound 16l especially exhibited promising activities against the MRSA strain and good pharmacokinetic profiles. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.08.077
• 作为产物：
  描述：

  一氯丙酮 、 2,4-二甲基苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 16.0h， 生成 (2,4-dimethyl-phenoxy)-acetone
  参考文献：
  名称：

  Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent

  摘要：

  We report the discovery, synthesis, and biological activities of phenoxy-4-pyrone and phenoxy-4-pyridone derivatives as novel inhibitors of enoyl-acyl carrier protein reductase (FabI). Pyridone derivatives showed better activities than pyrone derivatives against FabI and Staphylococcus aureus strains, including methicillin-resistant Staphylococcus aureus (MRSA). Among the pyridone derivatives, compound 16l especially exhibited promising activities against the MRSA strain and good pharmacokinetic profiles. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.08.077

文献信息

• SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20140329836A1

  公开（公告）日：2014-11-06

  This invention provides compounds of formula (I): wherein R 1 , R 2 , G, n, p and q have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.

  本发明提供了式(I)的化合物：其中R1、R2、G、n、p和q的值如规范所述，可用作HDAC6的抑制剂。本发明还提供了包含本发明化合物的制药组合物和使用该组合物治疗增生性、炎症性、感染性、神经系统或心血管疾病或障碍的方法。
• Stoermer, Justus Liebigs Annalen der Chemie, 1900, vol. 312, p. 332
  作者：Stoermer

  DOI：——

  日期：——
• Stoermer, Justus Liebigs Annalen der Chemie, 1900, vol. 312, p. 289
  作者：Stoermer

  DOI：——

  日期：——
• THE PROPERTIES OF SOME PHENOXYACETONES
  作者：D. STANLEY TARBELL

  DOI：10.1021/jo01197a006

  日期：1942.5
• AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS
  申请人：Bionomics Limited

  公开号：EP2709985B1

  公开（公告）日：2017-10-04