trioxa-4,10,16-triaza-1,7,13-cyclooctadecane | 296-38-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trioxa-4,10,16-triaza-1,7,13-cyclooctadecane
• 英文别名: 1,7,13-trioxa-4,10,16-triazacyclooctadecane；4,10,16-trioxa-1,7,13-triazacyclooctadecane；4,10,16-triaza-18-crown-6；trioxatriaza-18-crown-6；1,7,13-trioxa-4,10,16-triaza-cyclooctadecane
• CAS: 296-38-8
• 化学式: C₁₂H₂₇N₃O₃
• 分子量: 261.365
• InChiKey: HCTXRCNUPDEZLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  63.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  trioxa-4,10,16-triaza-1,7,13-cyclooctadecane 在 盐酸 、 caesium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Fluororeceptor for zwitterionic form amino acids in aqueous methanol solution

  摘要：

  A fluorescent receptor for underivatized amino acids was developed. The receptor based on triaza-18-crown-6 ether combined with two guanidinium groups could bind several biologically important amino acids in aqueous methanol solution and showed fluorescence enhancement response by a PET (photoinduced electron transfer) mechanism. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01618-0
• 作为产物：
  描述：

  4,10,16-Tris-(toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 trioxa-4,10,16-triaza-1,7,13-cyclooctadecane
  参考文献：
  名称：

  Fluororeceptor for zwitterionic form amino acids in aqueous methanol solution

  摘要：

  A fluorescent receptor for underivatized amino acids was developed. The receptor based on triaza-18-crown-6 ether combined with two guanidinium groups could bind several biologically important amino acids in aqueous methanol solution and showed fluorescence enhancement response by a PET (photoinduced electron transfer) mechanism. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01618-0

文献信息

• Design and synthesis of macrocyclic ligands for specific interaction with crystalline ettringite and demonstration of a viable mechanism for the setting of cement
  作者：Jonathan L. W. Griffin、Peter V. Coveney、Andrew Whiting、Roger Davey

  DOI：10.1039/a902760b

  日期：——

  Cementitious materials are among those most widely used by mankind while being among the least well understood. The detailed physicochemical processes involved in the hydration and setting of cement slurries are very complex, and a clearly defined quantitative account is still lacking; indeed, even the composition of the cement powder itself is not known exactly. Still less has there been any understanding of the mechanism by which numerous known retarders of the cement setting process act. In this article, we detail the synthesis of novel macrocyclic organophosphonate retarders 1a and 2a which were developed by rational methods. Attempts to synthesise these compounds as phosphonate ester derivatives were universally unsuccessful, however direct modification of the parent hexaaza- (3) and trioxatriaza-18-crown-6 (5) derivatives was successful, to provide the phosphonic acids 1b and 2b respectively. Subsequent testing of these compounds showed their ability to inhibit the growth of crystalline ettringite and delay the setting of cement. These results support the hypothesis that the formation of crystalline ettringite is the rate determining step in the setting of cement.

  水硬性材料是人类使用最广泛却最不为人所了解的材料之一。水泥浆体的水化和凝结涉及的详细的物理化学过程非常复杂，目前仍缺乏明确的定量解释；事实上，甚至连水泥粉体的成分也无法确切知晓。更不用说，对于已知的大量抑制水泥凝结过程的缓凝剂的作用机理也缺乏了解。在本文中，我们详细介绍了新型大环有机膦酸酯缓凝剂1a和2a的合成过程，这些缓凝剂是通过合理方法开发的。然而，尝试将这些化合物合成磷酸酯衍生物均未成功，相反，直接修饰母体六氮杂（3）和三氧三氮杂-18-冠-6（5）衍生物获得了成功，分别得到了膦酸1b和2b。随后对这些化合物的测试表明，它们能够抑制结晶钙矾石的生长并延缓水泥的凝结。这些结果支持了如下假设：结晶钙矾石的形成是水泥凝结速率的决定步骤。
• Ammonium redox-responsive receptors containing multiple ferrocene and quinone redox-active centres attached to di- and tri-aza crown ether macrocycles
  作者：Paul D. Beer、Declan B. Crowe、Mark I. Ogden、Michael G. B. Drew、Brian Main

  DOI：10.1039/dt9930002107

  日期：——

  ferrocene–ferrocenium redox couples of most of the ligands are perturbed to more positive potentials on co-ordination of NH4+ and K+ guest cations. The above tris(ferrocenylmethyl) ligand selectively binds and electrochemically recognises NH4+ in the presence of equimolar concentrations of K+. Secondary amide-linked ferrocene aza crown ether ligands electrochemically sense the NH4+ guest cation primarily via host ferrocenecarboxide

  已经制备了八种新的具有多个二茂铁和醌部分的氧化还原活性的二氮杂和三氮杂冠醚大环配体，包括第一个报道的二茂铁-醌混合大环配体。溶液1 H和13 C NMR络合研究表明，这些配体与铵作为客体阳离子形成1：1化学计量的络合物。7,16-双（二茂铁基甲基）-1,4,10,13-四氧杂-7,16-二氮杂环十八烷的六氟磷酸氢盐和4,10,16-三（二茂铁基甲基）-的铵络合物的单晶结构还确定了1,7,13-三恶唑-4,10,16-三氮杂环十八烷。电化学研究表明，大多数配体的各自的二茂铁-二茂铁氧化还原对在NH配位时被扰动到更正的电势4 +和K +客体阳离子。上述三（二茂铁）的配体选择性地结合和识别电化学NH 4 +中的K等摩尔浓度的存在+。二级酰胺连接的二茂铁氮杂冠醚配体主要通过主体二茂铁碳氧羰基氧-H-NH 3 +氢键静电相互作用电化学感应NH 4 +客体阳离子。
• BICYCLIC PEPTIDE LIGANDS AND USES THEREOF
  申请人：BicycleTx Limited

  公开号：US20180311300A1

  公开（公告）日：2018-11-01

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• Speleands. Macropolycyclic receptor cages based on binding and shaping sub-units. Synthesis and properties of macrocycle cyclotriveratrylene combinations. Preliminary communication
  作者：Josette Canceill、Andr� Collet、Jacqueline Gabard、Florence Kotzyba-Hibert、Jean-Marie Lehn

  DOI：10.1002/hlca.19820650623

  日期：1982.9.22

  Combination of a receptor unit with a rigid shaping unit produces a new type of receptor molecules of the cryptand class, hollow macropolycyclic molecules termed speleands, capable of substrate inclusion. Two members of this category of compounds 1 and 2, have been synthesized by connecting in a single step, a macro-cyclic [18]-N3O3 binding unit with a rigid cyclotriveratrylene unit via three bridges

  受体单元与刚性成形单元的结合产生了一种新型的隐窝类受体分子，即称为大分子的空心大多环分子，能够结合底物。这类化合物1和2的两个成员，是通过一个步骤通过三个桥连接一个大环[18] -N 3 O 3结合单元与一个刚性环三藜芦烯单元而合成的。化合物1结合甲基乙基铵阳离子，形成外部和内部复合物；对于后者，可以提出以15示意性表示的' speleme '结构。
• Cryptates Sphériques. Synthèse et Complexes d'Inclusion de Ligands Macrotricycliques Sphériques
  作者：Ernest Graf、Jean-Marie Lehn

  DOI：10.1002/hlca.19810640410

  日期：1981.6.10

  Spherical Cryptates. Synthesis and Inclusion-Complexes of Spherical Macrotricyclic Ligands

  球形隐窝。球形大三环配体的合成及其包合物