十六烷基胍单盐酸盐 | 19196-09-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 十六烷基胍单盐酸盐
• 英文名称: cetylguanidinium chloride
• 英文别名: N-hexadecylguanidinium chloride；N-Hexadecylguanidine--hydrogen chloride (1/1)；2-hexadecylguanidine;hydrochloride
• CAS: 19196-09-9
• 化学式: C₁₇H₃₇N₃*ClH
• 分子量: 319.962
• InChiKey: ULHAAWVGJFZJGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.17
• 重原子数：
  21
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  66
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 十六烷基胍单盐酸盐
  参考文献：
  名称：

  10.1002/cctc.202400945

  摘要：

  A strategy for the screening and optimization of an artificial esterase is presented that utilizes the self‐assembly of amphiphilic molecules. Unlike conventional approaches that rely on the attachment of key functional groups onto molecular scaffolds or surfaces, the modular assembly of amphiphiles allows a large number of catalytic combinations to be investigated with minimal synthetic effort. In this study, iterative combinatorial screens led to an optimized esterase comprising amphiphiles that act as a nucleophilic catalyst, an oxyanion hole and a metal ion chelator. Cooperativity is observed between the functional headgroups of the amphiphiles, an effect which is diminished when co‐assembled with non‐functionalized surfactants. Assessment of the catalytic efficiency (kcat/KM) of our optimized catalysts against recently reported artificial esterases shows comparable efficiency, indicating that efficient catalysis is possible with dynamic self‐assembled systems despite the absence of pre‐defined rigid binding pockets.

  DOI：

  10.1002/cctc.202400945
• 作为试剂：
  描述：

  (2R)-3-(3-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid 在 N,N'-dipicolylhexadecylamine 、 palladium on activated charcoal 、 十六烷基胍单盐酸盐 、 锌 、 氢气 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  10.1002/cctc.202400945

  摘要：

  A strategy for the screening and optimization of an artificial esterase is presented that utilizes the self‐assembly of amphiphilic molecules. Unlike conventional approaches that rely on the attachment of key functional groups onto molecular scaffolds or surfaces, the modular assembly of amphiphiles allows a large number of catalytic combinations to be investigated with minimal synthetic effort. In this study, iterative combinatorial screens led to an optimized esterase comprising amphiphiles that act as a nucleophilic catalyst, an oxyanion hole and a metal ion chelator. Cooperativity is observed between the functional headgroups of the amphiphiles, an effect which is diminished when co‐assembled with non‐functionalized surfactants. Assessment of the catalytic efficiency (kcat/KM) of our optimized catalysts against recently reported artificial esterases shows comparable efficiency, indicating that efficient catalysis is possible with dynamic self‐assembled systems despite the absence of pre‐defined rigid binding pockets.

  DOI：

  10.1002/cctc.202400945

文献信息

• Guanidinium vs. Ammonium Surfactants in Soft‐Templating Approaches: Nanostructured Silica and Zwitterionic <i>i</i> ‐Silica from Complementary Precursor–Surfactant Ion Pairs
  作者：Samir El Hankari、Peter Hesemann

  DOI：10.1002/ejic.201200419

  日期：2012.11

  nanoparticles. In a second time, we investigated the use of ammonium and guanidinium surfactants in the formation of periodic mesoporous organosilicas containing ionic groups (i-silica). We studied in particular template directed hydrolysis-polycondensation reactions of zwitterionic ammonium sulfonate and ammonium carboxylate precursors. We observed that both reactions involving the ammonium-sulfonate precursor

  我们研究了胍和铵表面活性剂在模板定向水解缩聚过程中作为结构导向剂的行为。为此，从长链取代的伯胺合成了一系列胍表面活性剂。在第一系列实验中，我们比较了在胍或铵基表面活性剂存在下通过 TEOS 的模板定向水解缩聚反应获得的纳米结构二氧化硅。我们观察到在铵表面活性剂如十六烷基三甲基溴化铵 (CTAB) 的存在下获得了典型的 MCM-41 型二氧化硅，显示出二维六边形结构。相比之下，胍表面活性剂的使用导致形成空心二氧化硅球或球形二氧化硅纳米粒子。第二次，我们研究了铵和胍表面活性剂在形成含有离子基团的周期性介孔有机二氧化硅 (i-二氧化硅) 中的应用。我们特别研究了两性离子磺酸铵和羧酸铵前体的模板定向水解缩聚反应。我们观察到涉及铵-磺酸盐前体的两种反应都产生了结构化的 i-二氧化硅。相比之下，羧酸铵前体的水解缩聚反应仅在胍表面活性剂存在下才得到结构化材料，而在 CTAB 存在下得到无定形材料。
• Dynamic and Modular Formation of a Synergistic Transphosphorylation Catalyst
  作者：Chloe Z.-J. Ren、Pablo Solís-Muñana、Gregory G. Warr、Jack L.-Y. Chen

  DOI：10.1021/acscatal.0c01321

  日期：2020.8.7

  cooperative interactions using precisely positioned functional groups. This has inspired the construction of artificial catalysts by the attachment of functional groups onto molecular scaffolds or solid supports to induce synergistic interactions. Herein, the transphosphorylation reaction is used as a model to demonstrate that cooperativity can also occur intermolecularly between multiple functional

  酶通过使用精确定位的官能团形成协同相互作用来加速化学反应。通过将官能团连接到分子支架或固体载体上以诱导协同相互作用，这启发了人工催化剂的构建。在此，将转磷酸化反应用作模型以证明在自组装囊泡结构内的多个官能团之间分子间也可以发生协同作用。我们证明这种系统的模块化和动态性质允许触发重组和催化活性的上调或下调。这样的概念有潜力用于协同催化剂的设计以及将其结合到水中的响应性催化体系中。
• Method of inhibiting the formation of gas hydrates using amidines and guanidines
  申请人：ECO INHIBITORS AS

  公开号：US09303201B2

  公开（公告）日：2016-04-05

  The present invention relates to methods of inhibiting the formation or agglomeration of gas hydrates using amidines or guanidines. The invention further relates to compositions comprising amidines or guanidines that find use as gas hydrate inhibitors, as well as processes for preparing alkylated amidinium or guanidinium salts.

  本发明涉及使用酰胺或鸟氨酸阻止气体水合物的形成或聚集的方法。本发明还涉及包含酰胺或鸟氨酸的组合物，这些组合物可用作气体水合物抑制剂，以及制备烷基化酰胺或鸟氨基盐的过程。
• US2014/256599
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• US20140256599A1
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