4-[6-(4-hydroxy-phenyl)-hexyl]-heptane-3,5-dione | 52122-46-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[6-(4-hydroxy-phenyl)-hexyl]-heptane-3,5-dione
• 英文别名: 4-[6-(4-hydroxyphenyl)hexyl]-3,5-heptanedione；4-<6-(4-Hydroxyphenyl)-hexyl>-3,5-heptandion；3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-；4-[6-(4-hydroxyphenyl)hexyl]heptane-3,5-dione
• CAS: 52122-46-0
• 化学式: C₁₉H₂₈O₃
• 分子量: 304.43
• InChiKey: CMJZKJQOZBQJCT-UHFFFAOYSA-N

物化性质

• 沸点：
  482.1±40.0 °C(Predicted)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[6-(4-hydroxy-phenyl)-hexyl]-heptane-3,5-dione 、 3,4,5-三甲氧基苯甲酰氯 在 吡啶 作用下， 生成 4-[6-(4-hydroxyphenyl)hexyl]-3,5-heptanedione 3,4,5-trimethoxybenzoate
  参考文献：
  名称：

  Methylenedioxyphenyl substituted aliphatic diketones

  摘要：

  芳基取代的二酮和酮酯，可用作抗病毒剂和杀虫剂，通过将芳基烷基或芳基烯基碘化物与适当的二酮或酮酯的金属盐反应制备。

  公开号：

  US04093736A1
• 作为产物：
  描述：

  6-溴-1-(4-甲氧基苯基)己烷-1-酮 在 钯 盐酸 、 potassium iodide 、 三溴化硼 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 乙醇 、 二氯甲烷 、 丙酮 为溶剂， 生成 4-[6-(4-hydroxy-phenyl)-hexyl]-heptane-3,5-dione
  参考文献：
  名称：

  Aryl substituted diketones

  摘要：

  芳基取代的二酮和酮酯，可作为抗病毒剂和杀虫剂使用，通过将芳基烷基或芳基烯基碘化物与适当的二酮或酮酯的金属盐反应制备而成。

  公开号：

  US04171378A1

文献信息

• Antiviral activity of some .beta.-diketones. 1. Aryl alkyl diketones. In vitro activity against both RNA and DNA viruses
  作者：Guy D. Diana、U. Joseph Salvador、Ethel S. Zalay、Robert E. Johnson、Joseph C. Collins、David Johnson、William B. Hinshaw、Roman R. Lorenz、William H. Thielking、Francis Pancic

  DOI：10.1021/jm00216a003

  日期：1977.6

  The discovery that 4-[3-ethyl-6-[(3,4-methylenedioxy)phenyl]-3-hexenyl]-3,5-heptanedione (40) exhibited an in vitro inhibitory effect against equine rhinovirus led to a structure--activity study to establish the criteria for optimum activity. Modification of the bridge included removal of the ethyl group and reduction of the double bond. The heptanedione was replaced with hexanedione and pentanedione with a minimal effect. The effect of replacing the heptanedione with beta-keto esters and monoketones was also investigated. Maintaining the hexamethylene bridge and heptanedione, the methylenedioxy group was replaced with various substitutents. In general, most substituents did not adversely affect activity particularly against equine rhinovirus although there was some variation in activity against herpesvirus. Strongly hydrophilic groups significantly reduced activity. Finally, the effect of varying the length of the alkyl bridge was examined in the 4-hydroxyphenyl series, where peak activity was attained with n = 8.
• US4171378A
  申请人：——

  公开号：US4171378A

  公开（公告）日：1979-10-16
• US4189500A
  申请人：——

  公开号：US4189500A

  公开（公告）日：1980-02-19
• US4268678A
  申请人：——

  公开号：US4268678A

  公开（公告）日：1981-05-19
• US4275201A
  申请人：——

  公开号：US4275201A

  公开（公告）日：1981-06-23