Methyl-(6-hydroxy-3-undecyl-phenyl)-aether | 150058-93-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Methyl-(6-hydroxy-3-undecyl-phenyl)-aether
• 英文别名: 4-Hydroxy-3-methoxy-1-undecyl-benzol；2-Methoxy-4-undecyl-phenol；2-Methoxy-4-undecylphenol
• CAS: 150058-93-8
• 化学式: C₁₈H₃₀O₂
• 分子量: 278.435
• InChiKey: OWRUTPCVHCWJSB-UHFFFAOYSA-N

物化性质

• 熔点：
  15-16 °C
• 沸点：
  164 °C(Press: 0.8 Torr)
• 密度：
  0.949±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  Decylmagnesium bromide 在 palladium on activated charcoal sodium hydrogen sulfate 、 氢气 、 六甲基二硅氮烷 作用下， 以 甲醇 、 xylene 为溶剂， 反应 8.0h， 生成 Methyl-(6-hydroxy-3-undecyl-phenyl)-aether
  参考文献：
  名称：

  Analogs of capsaicin with agonist activity as novel analgesic agents; structure-activity studies. 3. The hydrophobic side-chain "C-region"

  摘要：

  Structural variants of the hydrophobic side chain (''C region'') of the capsaicin molecule have been incorporated into a series of vanillylamides and vanillylthioureas. These compounds have been tested in an in vitro assay for agonism (Ca-45(2+) influx into dorsal root ganglia neurones), previously shown to be predictive of analgesic activity. The results of this study have established the requirement for a hydrophobic substituent of limited size (molar refractivity, MR, <55) in order to obtain high potency. Combination of the information gained here about the ''C-region'' of the capsaicin molecule with the studies described in the preceding two papers provides a rational basis for the design of compounds of increased potency.

  DOI：

  10.1021/jm00068a016

文献信息

• Daily Mortality in the Philadelphia Metropolitan Area and Size-Classified Particulate Matter
  作者：Frederick W. Lipfert、Samuel C. Morris、Ronald E. Wyzga

  DOI：10.1080/10473289.2000.10464185

  日期：2000.8

  Time-series of daily mortality data from May 1992 to September 1995 for various portions of the seven-county Philadelphia, PA, metropolitan area were analyzed in relation to weather and a variety of ambient air quality parameters. The air quality data included measurements of size-classified PM, SO42-, and H+ that had been collected by the Harvard School of Public Health, as well as routine air pollution monitoring data. Because the various pollutants df interest were measured at different locations within the metropolitan area, it was necessary to test for spatial sensitivity by comparing results for different combinations of locations,Estimates are presented for single pollutants and for multiple-pollutant models, including gaseous pollutants and mutually exclusive components of PM (PM2.5 and coarse particles, SO42- and non-SO42- portions of total suspended particulate [TSP] and PM10), measured on the day of death and the previous day.We concluded that associations between air quality and mortality were not limited to data collected in the same part of the metropolitan area; that is, mortality for one part may be associated with air quality data from another, not necessarily neighboring, part. Significant associations were found for a wide variety of gaseous and particulate pollutants, especially for peak O-3. Using joint regressions on peak O-3 with various other pollutants, we found that the combined responses were insensitive to the specific other pollutant selected. We saw no systematic differences according to particle size or chemistry. In general, the associations between daily mortality and air pollution depended on the pollutant or the PM metric, the type of collection filter used, and the location of sampling. Although peak O-3 seemed to exhibit the most consistent mortality responses, this finding should be confirmed by analyzing separate seasons and other time periods.
• Analogs of capsaicin with agonist activity as novel analgesic agents; structure-activity studies. 3. The hydrophobic side-chain "C-region"
  作者：Christopher S. J. Walpole、Roger Wrigglesworth、Stuart Bevan、Elizabeth A. Campbell、Andy Dray、Iain F. James、Kay J. Masdin、Martin N. Perkins、Janet Winter

  DOI：10.1021/jm00068a016

  日期：1993.8

  Structural variants of the hydrophobic side chain (''C region'') of the capsaicin molecule have been incorporated into a series of vanillylamides and vanillylthioureas. These compounds have been tested in an in vitro assay for agonism (Ca-45(2+) influx into dorsal root ganglia neurones), previously shown to be predictive of analgesic activity. The results of this study have established the requirement for a hydrophobic substituent of limited size (molar refractivity, MR, <55) in order to obtain high potency. Combination of the information gained here about the ''C-region'' of the capsaicin molecule with the studies described in the preceding two papers provides a rational basis for the design of compounds of increased potency.