1-(2-isopropoxy-5-methyl-phenyl)-ethanone | 705965-55-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-isopropoxy-5-methyl-phenyl)-ethanone
• 英文别名: 1-(2-Isopropoxy-5-methyl-phenyl)-aethanon；1-(2-Isopropoxy-5-methylphenyl)ethanone；1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
• CAS: 705965-55-5
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: PEYLQIQXNUTDDH-UHFFFAOYSA-N

物化性质

• 沸点：
  284.1±20.0 °C(Predicted)
• 密度：
  0.987±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  1-(2-isopropoxy-5-methyl-phenyl)-ethanone 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成 1-(5-Bromomethyl-2-isopropoxy-phenyl)-ethanone
  参考文献：
  名称：

  Azido-Containing aryl β-Diketo acid HIV-1 integrase inhibitors

  摘要：

  Aryl beta-diketo acids (ADK) comprise a general class of potent HIV-1 integrase (IN) inhibitors, which can exhibit selective inhibition of strand transfer reactions in extracellular recombinant IN assays and provide potent antiviral effects in HIV-infected cells. Recent studies have shown that polycyclic aryl or aryl rings bearing aryl-containing substituents are components of potent members of this class. Reported herein is the first use of azido functionality as an aryl replacement in beta-diketo acid IN inhibitors. The ability of azido-containing inhibitors to exhibit potent inhibition of IN and antiviral protection in HIV-infected cells, renders the azide group of potential value in the further development of ADK-based IN inhibitors. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00059-3
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-(2-isopropoxy-5-methyl-phenyl)-ethanone
  参考文献：
  名称：

  v.Auwers; Lechner; Bundesmann, Chemische Berichte, 1925, vol. 58, p. 41

  摘要：

  DOI：