L-alanine hexadecyl ester, p-toluenesulfonic acid salt

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: L-alanine hexadecyl ester, p-toluenesulfonic acid salt
• 英文别名: L-Alanine cetyl ester p-toluenesulfonate；hexadecyl (2S)-2-aminopropanoate;4-methylbenzenesulfonic acid
• 化学式: C₇H₈O₃S*C₁₉H₃₉NO₂
• 分子量: 485.729
• InChiKey: CNRMCFSNURPKJN-FERBBOLQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  33
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  L-alanine hexadecyl ester, p-toluenesulfonic acid salt 在 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 59.0h， 生成
  参考文献：
  名称：

  A Condensable Amphiphile with a Cleavable Tail as a “Lizard” Template for the Sol−Gel Synthesis of Functionalized Mesoporous Silica

  摘要：

  Use of a dialkoxysilane-containing, condensable alanine amphiphile with a cleavable hexadecyl ester tail (1) as a "lizard" template for sol-gel synthesis results in the formation of a mesoporous silicate (2) whose channels are filled with an organic group of the template. Treatment of 2 with aqueous HCl allows selective cleavage of the ester moiety to leave nanochannels (3) whose surface is densely covered with alanine-CO2H. According to XRD and TEM, 2, on conversion into 3, can preserve its regular hexagonal structure. 3 displays a clear N2 adsorption/desorption isotherm with a BET surface area of 536 m2 g-1. 3 can also adsorb a basic guest such as NH3 up to 0.7 mmol g-1, which is 7 times greater than that observed for mesoporous silica obtained by calcination of 2.

  DOI：

  10.1021/ja039515r
• 作为产物：
  描述：

  L-丙氨酸 、 1-十六烷醇 、 对甲苯磺酸 以 甲苯 为溶剂， 生成 L-alanine hexadecyl ester, p-toluenesulfonic acid salt
  参考文献：
  名称：

  呋喃-2,5-二甲酸（FDCA）基有机凝胶剂的开发

  摘要：

  有机凝胶具有广泛的应用，因此非常需要开发新型生物基有机凝胶剂。虽然呋喃-2,5-二甲酸 (FDCA) 是一种很有前景的生物基聚酯合成分子，但它从未用于有机凝胶。本研究探讨了设计基于 FDCA 的有机凝胶剂的可能性，该凝胶剂可自组装成通过氢键稳定的纤维网络。凝胶测试表明该凝胶剂系列具有多种凝胶液体（尤其是非极性液体）的多功能性。通过 FTIR 和 CD 光谱、晶体学、粉末 X 射线衍射和流变学研究了凝胶的结构。

  DOI：

  10.1039/d3sm00771e

文献信息

• PROTEINOUS EMULSIFIER, PROCESS FOR ITS PREPARATION, AND EMULSIFIED COSMETIC PREPARATION CONTAINING SAME
  申请人：KANEBO, LTD.

  公开号：EP0160103A1

  公开（公告）日：1985-11-06

  A proteinous emulsifier is obtained by reacting an amino acid ester with a hydrophilic protein in the presence of endopeptidase to bind the amino group of the amino acid ester to the carboxyl terminal of a hydrophilic protein decomposition product through an amide bond. This emulsifier has a typical surfactant structure wherein the hydrophobic amino acid ester moiety is bound to the end of the hydrophilic protein moiety. It slightly stimulates skin and shows a strong emulsifying effect and a good moisture retention, thus being extremely suitable as emulsifier for various cosmetic preparations such as creams, milky lotions, etc.

  在内肽酶存在下，氨基酸酯与亲水性蛋白质反应，使氨基酸酯的氨基与亲水性蛋白质分解产物的羧基末端通过酰胺键结合，从而得到一种蛋白质乳化剂。 这种乳化剂具有典型的表面活性剂结构，其中疏水性氨基酸酯分子与亲水性蛋白质分子的末端结合。 它对皮肤有轻微刺激，具有很强的乳化效果和良好的保湿性，因此非常适合用作各种化妆品制剂（如膏霜、乳液等）的乳化剂。
• US4826818A
  申请人：——

  公开号：US4826818A

  公开（公告）日：1989-05-02
• A Condensable Amphiphile with a Cleavable Tail as a “Lizard” Template for the Sol−Gel Synthesis of Functionalized Mesoporous Silica
  作者：Qingmin Zhang、Katsuhiko Ariga、Akihiro Okabe、Takuzo Aida

  DOI：10.1021/ja039515r

  日期：2004.2.1

  Use of a dialkoxysilane-containing, condensable alanine amphiphile with a cleavable hexadecyl ester tail (1) as a "lizard" template for sol-gel synthesis results in the formation of a mesoporous silicate (2) whose channels are filled with an organic group of the template. Treatment of 2 with aqueous HCl allows selective cleavage of the ester moiety to leave nanochannels (3) whose surface is densely covered with alanine-CO2H. According to XRD and TEM, 2, on conversion into 3, can preserve its regular hexagonal structure. 3 displays a clear N2 adsorption/desorption isotherm with a BET surface area of 536 m2 g-1. 3 can also adsorb a basic guest such as NH3 up to 0.7 mmol g-1, which is 7 times greater than that observed for mesoporous silica obtained by calcination of 2.
• Development of furan-2,5-dicarboxylic acid (FDCA)-based organogelators
  作者：Dorian Rabaud、Paul Dussart、Guylaine Ducouret、Pierre-Antoine Albouy、Jérémy Forté、Benjamin Isare、Laurent Bouteiller

  DOI：10.1039/d3sm00771e

  日期：——

  Organogels are used in a wide range of applications for which the development of new bio-based organogelators is highly desirable. While furan-2,5-dicarboxylic acid (FDCA) is a promising molecule for the synthesis of bio-based polyesters, it has never been used in the context of organogels. This study explores the possibility to design FDCA-based organogelators that self-assemble into fibrillar networks

  有机凝胶具有广泛的应用，因此非常需要开发新型生物基有机凝胶剂。虽然呋喃-2,5-二甲酸 (FDCA) 是一种很有前景的生物基聚酯合成分子，但它从未用于有机凝胶。本研究探讨了设计基于 FDCA 的有机凝胶剂的可能性，该凝胶剂可自组装成通过氢键稳定的纤维网络。凝胶测试表明该凝胶剂系列具有多种凝胶液体（尤其是非极性液体）的多功能性。通过 FTIR 和 CD 光谱、晶体学、粉末 X 射线衍射和流变学研究了凝胶的结构。