4-[6-(2-Iodophenoxy)hexyl]-3,5-heptanedione | 62489-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[6-(2-Iodophenoxy)hexyl]-3,5-heptanedione
• 英文别名: 4-[6-(2-Iodophenoxy)hexyl]heptane-3,5-dione
• CAS: 62489-43-4
• 化学式: C₁₉H₂₇IO₃
• 分子量: 430.326
• InChiKey: PFGKJRVSAITTSE-UHFFFAOYSA-N

物化性质

• 沸点：
  195-198 °C(Press: 0.005 Torr)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(6-bromo-hexyl)-heptane-3,5-dione 以62%的产率得到
  参考文献：
  名称：

  DIANA H. D.; SALVADOR U. J.; ZALAY E. S.; CARABATEAS P. M.; WILLIAMS G. L+, J. MED. CHEM. , 1977, 20, NO 6, 757-761

  摘要：

  DOI：

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.