methyl 12-(3-(hex-5-en-1-yl)ureido)dodecanoate | 1293362-58-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 12-(3-(hex-5-en-1-yl)ureido)dodecanoate
• CAS: 1293362-58-9
• 化学式: C₂₀H₃₈N₂O₃
• 分子量: 354.533
• InChiKey: MMNPBYGBWTXSGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.72
• 重原子数：
  25.0
• 可旋转键数：
  17.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  三甲氧基硅烷 、 methyl 12-(3-(hex-5-en-1-yl)ureido)dodecanoate 在 铂(0)-1,3-二乙烯-1,1,3,3-四甲基二硅氧烷 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成 Methyl 12-(6-trimethoxysilylhexylcarbamoylamino)dodecanoate
  参考文献：
  名称：

  PM-IRRAS Investigation of Self-Assembled Monolayers Grafted onto SiO₂/Au Substrates

  摘要：

  Polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) was used to characterize self-assembled monolayers (SAMs). Novel ester-terminated organosilicon coupling agents possessing a trialkoxysilyl headgroup and a urea group in the linear alkyl chains (4) were synthesized and grafted onto SiO2/Au substrates (SiO2 film of 200 angstrom thickness deposited on gold mirror). This composite substrate allowed the anchoring of SAMs and preserved the high reflectivity for infrared radiation. PM-IRRAS spectra with very high signal-to-noise ratios have been obtained in the mid-infrared spectral range allowing monitoring of the grafted SAMs. Quantitative analysis of the measured signal is described to compare PM-IRRAS and conventional IRRAS spectra. This quantitative analysis has been validated since the band intensities in the corrected PM-IRRAS and conventional IRRAS spectra are identical. Orientation information on the different functional groups has been obtained comparing the corrected PM-IRRAS spectrum with the one calculated using isotropic optical constants of ester-terminated organosilicon coupling agents 4. The carbonyls of the urea groups are preferentially parallel to the substrate surface favoring intermolecular hydrogen bonding and consequently a close packing of the molecules attached to the surface. By contrast, the alkyl chains present gauche defects and are poorly oriented.

  DOI：

  10.1021/la2006293
• 作为产物：
  描述：

  6-庚烯酸 在 叠氮磷酸二苯酯 、 1,8-双二甲氨基萘 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 methyl 12-(3-(hex-5-en-1-yl)ureido)dodecanoate
  参考文献：
  名称：

  PM-IRRAS Investigation of Self-Assembled Monolayers Grafted onto SiO₂/Au Substrates

  摘要：

  Polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) was used to characterize self-assembled monolayers (SAMs). Novel ester-terminated organosilicon coupling agents possessing a trialkoxysilyl headgroup and a urea group in the linear alkyl chains (4) were synthesized and grafted onto SiO2/Au substrates (SiO2 film of 200 angstrom thickness deposited on gold mirror). This composite substrate allowed the anchoring of SAMs and preserved the high reflectivity for infrared radiation. PM-IRRAS spectra with very high signal-to-noise ratios have been obtained in the mid-infrared spectral range allowing monitoring of the grafted SAMs. Quantitative analysis of the measured signal is described to compare PM-IRRAS and conventional IRRAS spectra. This quantitative analysis has been validated since the band intensities in the corrected PM-IRRAS and conventional IRRAS spectra are identical. Orientation information on the different functional groups has been obtained comparing the corrected PM-IRRAS spectrum with the one calculated using isotropic optical constants of ester-terminated organosilicon coupling agents 4. The carbonyls of the urea groups are preferentially parallel to the substrate surface favoring intermolecular hydrogen bonding and consequently a close packing of the molecules attached to the surface. By contrast, the alkyl chains present gauche defects and are poorly oriented.

  DOI：

  10.1021/la2006293