1,3-bis(3-chloro-4-hydroxyphenyl)adamantane | 1260237-54-4

• 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-bis(3-chloro-4-hydroxyphenyl)adamantane
• 英文别名: 2-Chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1-adamantyl]phenol
• CAS: 1260237-54-4
• 化学式: C₂₂H₂₂Cl₂O₂
• 分子量: 389.321
• InChiKey: SERSUDTZHNOBFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-bis(3-chloro-4-hydroxyphenyl)adamantane 、 1,2-二(4-吡啶基)乙烯 以 乙醇 为溶剂， 反应 1.0h， 生成 1,2-di(4-pyridyl)ethylene
  参考文献：
  名称：

  Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring

  摘要：

  Eight cocrystals were formed from three adamantane-based bisphenols with structurally analogous skeletons and three bispyridines. Various 1D chains were constructed through intermolecular OH/N hydrogen bonds. Two crystals containing nonsubstituted bisphenols showed the formation of 1D zigzag chains, which were generated from two bisphenols and two bispyridines in one pitch of the 1D chain. Three crystals including chlorine-substituted bisphenols indicated the generation of 1D zigzag chains, and the pitches of these chains were longer than that of 1D chains composed of nonsubstituted bisphenols. Three crystals containing bromine-substituted bisphenols exhibited different shapes of 1D chains from other crystals, which were consisted of one bisphenol and one bispyridine in one pitch. These 1D chains assembled via intermolecular CH/O and/or CH/pi interactions. The halogen substituents on the adamantane-based bisphenols influence on not only the shapes of 1D chains, but also 2D and 3D structures mainly due to steric hindrances.

  DOI：

  10.1021/cg301462v
• 作为产物：
  描述：

  邻氯苯酚 、 1,3-金刚烷二醇 在 三氟甲磺酸 作用下， 以 1,2-二氯乙烷 、 三氟乙酸 为溶剂， 反应 8.0h， 以70%的产率得到1,3-bis(3-chloro-4-hydroxyphenyl)adamantane
  参考文献：
  名称：

  基于金刚烷的双酚分子的氢键网络：走向有通道的分子晶体的制备。

  摘要：

  设计了一系列具有结构相关的V形骨架的基于金刚烷的双酚分子，以研究分子形状和空间位阻对晶格中单个分子的分子缔合和堆积的影响。单晶X射线分析表明，在酚部分的羟基之间形成了多个分子间氢键。1,3-双（4-羟基-3,5-二甲基苯基）金刚烷（1）的晶体学分析表明通过氢键形成了一维（1D）之字形聚合物。在1,3-双（3-溴-4-羟基苯基）金刚烷（2），由环状骨架组成的无限一维聚合物通过分子间氢键维持。1,3-双（3-氯-4-羟基苯基）金刚烷（3）和1,3-双（4-羟基苯基）金刚烷（4）形成了带有固态含氯仿分子通道的骨架。在晶体3a和4a中生成了由环状骨架组成的连续1D聚合物，这些1D聚合物堆积成具有通道结构的二维（2D）层。

  DOI：

  10.1021/cg101427k

文献信息

• One‐Step Synthesis of Cyclophanes as Crystalline Sponge and Their [2]Catenanes through S _N Ar Reactions
  作者：Masahide Tominaga、Tadashi Hyodo、Yumi Maekawa、Masatoshi Kawahata、Kentaro Yamaguchi

  DOI：10.1002/chem.201905854

  日期：2020.4.21

  This work reports that cyclophanes and their [2]catenanes were synthesized by the SN Ar reactions of disubstituted adamantanes bearing halophenol units and 3,6-dichlorotetrazine in moderate yields. In the crystalline state, the cyclophanes had hexagonal structures with a cavity. The [2]catenanes were composed of two macrocycles that were singly interlocked and orthogonally arranged, indicating the

  这项工作报告说环烷及其[2]邻苯二酚是通过带有卤代酚单元和3,6-二氯四嗪的双取代金刚烷的SN Ar反应合成的，产率中等。在结晶状态下，环烷具有具有空腔的六边形结构。[2] catenanes由两个相互连锁且正交排列的大环组成，表明一步反应中从八个组分分子到八个CO键的结构，产率最高可达33％。组装环烷以提供固态的超分子有机骨架，该骨架以单晶至单晶的形式表现出永久的固有孔隙率和叶醇或醛的吸附。通过单晶X射线分析确定液体客体的分子结构。
• Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties
  作者：Masahide Tominaga、Tadashi Hyodo、Yuya Hikami、Kentaro Yamaguchi

  DOI：10.1039/d0ce01576h

  日期：——

  adamantane-based macrocycle with pyridazine moieties (1) was synthesized from 3,6-dichloropyridazine and disubstituted adamantane possessing chlorophenol moieties in 57% yield as a new host molecule. The crystallization of 1 in various solvents afforded six inclusion crystals. The macrocyclic framework had a nearly hexagonal structure with a cavity, and was assembled into various network structures composed

  卤素-卤素接触是相当重要的分子间相互作用。由3,6-二氯哒嗪和具有氯酚部分的二取代金刚烷作为新的宿主分子合成了具有哒嗪部分（1）的金刚烷基大环化合物。1在各种溶剂中的结晶得到六个包合物晶体。大环框架具有带孔的近六边形结构，并组装成由带有通道的层结构组成的各种网络结构。在含有环醚的晶体中，所有1个氯原子之间的卤素⋯卤素相互作用被观察。同时，在含有卤代甲烷和芳香族化合物的晶体中，CH⋯Cl相互作用交替且部分出现。
• Water adsorption in porous organic crystals of adamantane-bearing macrocycles
  作者：Masahide Tominaga、Tadashi Hyodo、Kosuke Mizuno、Masatoshi Kawahata、Kentaro Yamaguchi

  DOI：10.1039/d2ce01030e

  日期：——

  Three adamantane-bearing macrocycles with pyrazine or tetrazine units afforded porous organic crystals possessing distinct surface properties of 1D pores, which captured multiple water molecules from the air or liquid water in a single-crystal-to-single-crystal fashion. The molecular structures of the macrocycles and water molecules were confirmed by X-ray analysis.

  三个含有金刚烷的大环与吡嗪或四嗪单元提供了具有不同表面性质的一维孔的多孔有机晶体，它以单晶到单晶的方式从空气或液态水中捕获多个水分子。X射线分析证实了大环和水分子的分子结构。
• AROMATIC POLYCARBONATE RESIN PROCESS FOR PRODUCING THE SAME OPTICAL PART MOLDINGMATERIAL AND OPTICAL PART
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：EP1469026A1

  公开（公告）日：2004-10-20

  The present invention relates to an aromatic polycarbonate resin which comprises repetitive units originating in residual groups of a 2,2-bis(4-hydroxyphenyl)adamantane compound and a 1,3-bis(4-hydroxyphenyl)adamantane compound having a substituent on an aromatic ring and which is excellent in a transparency, a heat resistance and a mechanical strength and has a good moldability and a production process for the aromatic polycarbonate resin described above in which the adamantane compounds described above are reacted with a carbonic ester-forming compound. Further, it relates to an aromatic polycarbonate resin which is excellent in an optical characteristic and an optical part prepared by molding the same.

  本发明涉及一种芳香族聚碳酸酯树脂，该树脂由源自 2,2-双（4-羟基苯基）金刚烷化合物和 1,3-双（4-羟基苯基）金刚烷化合物残基的重复单元组成，该化合物在芳香环上具有取代基，具有优异的透明度、耐热性和机械强度，并具有良好的成型性，本发明还涉及上述芳香族聚碳酸酯树脂的生产工艺，在该生产工艺中，上述金刚烷化合物与碳酸酯形成化合物发生反应。此外，本发明还涉及一种光学特性优异的芳香族聚碳酸酯树脂以及通过模塑该树脂制备的光学部件。
• Aromatic polycarbonate resin, process for producing the same, optical-part molding material, and optical part
  申请人：Morishita Hironobu

  公开号：US20050143553A1

  公开（公告）日：2005-06-30

  The present invention relates to an aromatic polycarbonate resin which comprises repetitive units originating in residual groups of a 2,2-bis(4-hydroxyphenyl)adamantane compound and a 1,3-bis(4-hydroxyphenyl)adamantane compound having a substituent on an aromatic ring and which is excellent in a transparency, a heat resistance and a mechanical strength and has a good moldability and a production process for the aromatic polycarbonate resin described above in which the adamantane compounds described above are reacted with a carbonic ester-forming compound. Further, it relates to an aromatic polycarbonate resin which is excellent in an optical characteristic and an optical part prepared by molding the same.

  本发明涉及一种芳香族聚碳酸酯树脂，该树脂由源自 2,2-双（4-羟基苯基）金刚烷化合物和 1,3-双（4-羟基苯基）金刚烷化合物残基的重复单元组成，该化合物在芳香环上具有取代基，具有优异的透明度、耐热性和机械强度，并具有良好的成型性，本发明还涉及上述芳香族聚碳酸酯树脂的生产工艺，在该生产工艺中，上述金刚烷化合物与碳酸酯形成化合物发生反应。此外，本发明还涉及一种光学特性优异的芳香族聚碳酸酯树脂以及通过模塑该树脂制备的光学部件。