16-Oxo-16-p-tolyl-hexadecanoic acid methyl ester | 75199-74-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 16-Oxo-16-p-tolyl-hexadecanoic acid methyl ester
• CAS: 75199-74-5
• 化学式: C₂₄H₃₈O₃
• 分子量: 374.564
• InChiKey: WZGRXUUCIYEDME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.81
• 重原子数：
  27.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  16-Oxo-16-p-tolyl-hexadecanoic acid methyl ester 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成
  参考文献：
  名称：

  Hydrophobic-hydrophilic interactions in sodium dodecyl sulfate micelles. Stilbene-viologen complex formation as a probe of the micelle interior

  摘要：

  DOI：

  10.1021/ja00401a053
• 作为产物：
  描述：

  15-chlorocarbonyl-pentadecanoic acid methyl ester 、 甲苯 生成 16-Oxo-16-p-tolyl-hexadecanoic acid methyl ester
  参考文献：
  名称：

  Hydrophobic-hydrophilic interactions in sodium dodecyl sulfate micelles. Stilbene-viologen complex formation as a probe of the micelle interior

  摘要：

  DOI：

  10.1021/ja00401a053

文献信息

• Aggregate Formation and Photoreactivity in Phospholipid Vesicles and Langmuir-Blodgett Multilayers: Topologically Controlled Photodimerization of Amphiphilic Styrenes
  作者：Xiao-Mei Zhao、Jerome Perlstein、David G. Whitten

  DOI：10.1021/ja00102a012

  日期：1994.11

  The amphiphilic styrene fatty acid 1 and its corresponding phosphatidylcholine derivative 2 have been found to exhibit aggregate formation and topologically controlled photodimerization in Langmuir-Blodgett (LB) assemblies and phospholipid vesicles, respectively. For both compounds, formation of the beta or syn, head-to-head photodimer is the chief photoreaction observed upon irradiation in the assemblies; a trace of the cis styrene is observed on irradiation in the phospholipid vesicles. Changes in the absorption spectrum and a lack of fluorescence in the assemblies, compared to dilute organic solutions, suggest that 1 and 2 exist as ''H'' aggregates in both the LB films and vesicles. Monte Carlo simulations suggest that the most stable structure in a monolayer is a simple translation aggregate. Energy minimization gives a cross sectional area in good agreement with that measured for films at the air-water interface. The calculated structure has nearest neighbor separation within the ''magic distance'' for solid state photodimerization of 4.10 Angstrom. The relatively small calculated tilt angle suggests that dimers can be formed without substantial reorganization. The lambda(max) for the aggregate estimated by an extended dipole calculation shows good agreement with the measured absorption maximum. Vesicles of 2, either pure or with excess saturated phospholipid, give topologically controlled formation of the beta dimer via photolysis of an aggregated form.
• Photochemistry of a surfactant stilbene in organized media: a probe for hydrophobic sites in micelles, vesicles, and other assemblies
  作者：John C. Russell、Silvia B. Costa、Reginald P. Seiders、David G. Whitten

  DOI：10.1021/ja00537a047

  日期：1980.8