1,3,5,7-tetrakis(4-methoxyphenyl)adamantane | 1029302-61-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,3,5,7-tetrakis(4-methoxyphenyl)adamantane
• 英文别名: 1,3,5,7-Tetrakis(4-methoxyphenyl)adamantane
• CAS: 1029302-61-1
• 化学式: C₃₈H₄₀O₄
• 分子量: 560.733
• InChiKey: CZUXGRWFZTZQBE-UHFFFAOYSA-N

物化性质

• 沸点：
  673.4±55.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3,5,7-tetrakis(4-methoxyphenyl)adamantane 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以96%的产率得到1,3,5,7-tetrakis-(4-hydroxyphenyl)adamantane
  参考文献：
  名称：

  Synthesis of 1,3,5,7-tetrakis(4-cyanatophenyl)adamantane and its microporous polycyanurate network for adsorption of organic vapors, hydrogen and carbon dioxide

  摘要：

  本报告展示了一种基于四苯基阿当坦的微孔聚氰尿酸网络，BET比表面积为843 m²/g，孔径为7.8 Å。它在298 K、P/P0 = 0.9时吸附98.0 wt%苯，在77 K/1 bar时吸附1.49 wt%氢气，以及在273 K/1 bar时吸附12.8 wt%二氧化碳，二氧化碳/氮气的选择性高达112。

  DOI：

  10.1039/c4cc05021e
• 作为产物：
  描述：

  1,3,5,7-四苯基金刚烷 在 溴 、 铁粉 、 copper(I) bromide 作用下， 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 生成 1,3,5,7-tetrakis(4-methoxyphenyl)adamantane
  参考文献：
  名称：

  Synthesis of 1,3,5,7-tetrakis(4-cyanatophenyl)adamantane and its microporous polycyanurate network for adsorption of organic vapors, hydrogen and carbon dioxide

  摘要：

  本报告展示了一种基于四苯基阿当坦的微孔聚氰尿酸网络，BET比表面积为843 m²/g，孔径为7.8 Å。它在298 K、P/P0 = 0.9时吸附98.0 wt%苯，在77 K/1 bar时吸附1.49 wt%氢气，以及在273 K/1 bar时吸附12.8 wt%二氧化碳，二氧化碳/氮气的选择性高达112。

  DOI：

  10.1039/c4cc05021e

文献信息

• RigidC3-Symmetric Scaffolds Based on Adamantane
  作者：Nadine Pannier、Wolfgang Maison

  DOI：10.1002/ejoc.200701003

  日期：2008.3

  Efficient syntheses of rigid C3-symmetric scaffolds based on adamantane are described. The scaffolds are available in multigram quantities and have been designed for conjugation to various natural products such as carbohydrates and peptides. They are thus valuable for the construction of strictly defined molecular architectures with threefoldgeometry for applications in bioorganic chemistry, catalysis

  描述了基于金刚烷的刚性 C3 对称支架的有效合成。支架的数量为数克，设计用于与各种天然产物（如碳水化合物和肽）结合。因此，它们对于构建具有三重几何形状的严格定义的分子结构非常有价值，可用于生物有机化学、催化或材料科学。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
• Tetrakis(dimethoxyphenyl)adamantane (TDA) and Its Inclusion Complexes in the Crystalline State: A Versatile Carrier for Small Molecules
  作者：Alexander Schwenger、Wolfgang Frey、Clemens Richert

  DOI：10.1002/chem.201406568

  日期：2015.6.8

  the octaether shows an unusual level of (pseudo)polymorphism in its crystalline state, combined with the ability to include a number of different small molecules in its crystal lattices. A total of 20 different inclusion complexes with guest molecules as different as ethanol or trifluorobenzene were found. For nitromethane and benzene, schemes for uptake and release are presented.

  在结构阐明，去污和活性成分缓慢释放的背景下，用于将小分子掺入晶体基质的分子存储溶液是令人关注的。在这里我们报告了1,3,5,7-四（2,4-二甲氧基苯基）金刚烷，1,3,5,7-四（4-甲氧基苯基）金刚烷，1,3,5,7-四（ 4-甲氧基-2-甲基苯基）金刚烷和1,3,5,7-四（4-甲氧基-2-乙基苯基）金刚烷，以及它们的X射线晶体结构。所有四种化合物均易于结晶。只有八醚在其晶态下显示出异常水平的（伪）多态性，并具有在其晶格中包含许多不同的小分子的能力。总共发现了20种不同的包合物，其客体分子与乙醇或三氟苯不同。
• Solution-Phase Synthesis of Branched Oligonucleotides with up to 32 Nucleotides and the Reversible Formation of Materials
  作者：Alexander Schwenger、Nicholas Birchall、Clemens Richert

  DOI：10.1002/ejoc.201700686

  日期：2017.10.25

  A protocol for the solution-phase synthesis of branched oligodeoxynucleotides was developed that can be scaled up readily and that provides products with the ability to form materials through base pairing.

  已开发出溶液相合成支链寡聚脱氧核苷酸的方案，该方案可以轻松按比例扩大，并提供具有通过碱基配对形成材料的能力的产物。
• [EN] TETRAKIS(DIMETHOXYPHENYL)ADAMANTANE (TDA) AND ITS INCLUSION COMPLEXES<br/>[FR] TÉTRAKIS(DIMÉTHOXYPHÉNYL)ADAMANTANE (TDA) ET SES COMPLEXES D'INCLUSION
  申请人：RICHERT CLEMENS

  公开号：WO2016139373A1

  公开（公告）日：2016-09-09

  Molecular storage materials for incorporating small molecules in solid matrices may find applications in structure elucidation, decontamination, and slow release of active ingredients. The syntheses of 1,3,5,7-tetrakis(2,4-dimethoxyphenyl)adamantane (TDA), 1,3,5,7-tetrakis(4-methoxyphenyl)adamantane, 1,3,5,7-tetrakis(4-methoxy-2-methylphenyl)adamantane, and 1,3,5,7-tetrakis(4-methoxy-2-ethylphenyl)adamantane are reported, together with details on their X-ray crystal structures. All four adamantanes crystallize readily. The octaether shows an unusual level of pseudopolymorphism in the solid state,and includes a wide range of different guest molecules in its crystal lattices. Thus far, 20 different inclusion complexes with guest molecules ranging from methanol or trifluorobenzene were characterized. Both nitromethane and benzene were taken up into inclusion materials and were shown to be released by one of three different processes.