1,3-bis(4-hydroxy-3,5-dimethylphenyl)adamantane | 566885-10-7

• 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(4-hydroxy-3,5-dimethylphenyl)adamantane
• 英文别名: 1,3-bis(3,5-dimethyl-4-hydroxyphenyl)adamantane；4-[3-(4-Hydroxy-3,5-dimethylphenyl)-1-adamantyl]-2,6-dimethylphenol
• CAS: 566885-10-7
• 化学式: C₂₆H₃₂O₂
• 分子量: 376.539
• InChiKey: LIWXLDSTTGTROO-UHFFFAOYSA-N

物化性质

• 沸点：
  517.5±50.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.54
• 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(4-hydroxy-3,5-dimethylphenyl)adamantane 、 3-溴丙炔 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以89%的产率得到1,3-bis(4-propargyloxy-3,5-dimethylphenyl)adamantane
  参考文献：
  名称：

  Tubular structures bearing channels in organic crystals composed of adamantane-based macrocycles

  摘要：

  Five macrocyclic molecules (1-5) were efficiently synthesized from the dimerization and trimerization of di-substituted adamantane derivatives, which were composed of three different aromatic units and two different linker groups. Three single-crystals were obtained from these macrocyclic molecules, including a set of pseudopolymorphs (3a and 3b) of macrocycle 3 and another macrocycle 5 (5a). Single crystal Xray analysis revealed that the three monocyclic compounds were rectangular or square in shape with solvent molecules in the cavity. Macrocycle 3 in 3a formed stacks to produce tubular structures with channels that assembled into three-dimensional networks through CH/pi interactions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.006
• 作为产物：
  描述：

  2,6-二甲基苯酚 、 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59%的产率得到1,3-bis(4-hydroxy-3,5-dimethylphenyl)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

• Hydroxyphenyl adamantanes and process for the production of the same
  申请人：——

  公开号：US20030187307A1

  公开（公告）日：2003-10-02

  Hydroxyphenyl adamantanes are represented by the general formula (1): 1 wherein R is an alkyl group, cycloalkyl group or phenyl group; m is 0 or an integer 1 or 2; l is 0 or 1; when l is 1, hydroxy groups of substituted hydroxyphenyl groups at positions 1 and 3 are together in para-position; n is 0 or an integer 1, 2 or 3; and when l is 0, n is an integer 1, 2 or 3.

  羟基苯基重氮烷类化合物由通式（1）表示： 1 其中R为烷基、环烷基或苯基；m为0或整数1或2；l为0或1；当l为1时，取代羟基苯基的1和3位的羟基在对位上共同存在；n为0或整数1、2或3；当l为0时，n为整数1、2或3。
• ADAMANTANE DERIVATIVE, COMPOSITION COMPRISING THE DERIVATIVE, AND OPTICAL AND ELECTRONIC MEMBER USING THE COMPOSITION
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：EP1985617A1

  公开（公告）日：2008-10-29

  To provide an adamantane derivative, a compound having an adamantane skeleton, compositions containing them that can provide a cured product having excellent optical properties such as transparency and light resistance, long-term heat resistance and electric characteristics such as dielectric permittivity, and optical electronic members using the compositions. An adamantane derivative represented by the general formula (I), a compound with an adamantane skeleton represented by the general formula (VII) or (VIII), compositions containing them, and optical electronic members using the resin compositions. In the formulas, W represents, for example, a hydrogen atom, X represents, for example, a group represented by the general formula (II), Yrepresentsagrouprepresented by the formula (V) or (VI), R1 represents a methyl group or an ethyl group, R2 represents a C1 to C10 hydrocarbon group which may contain O or S, m is an integer of 2 to 4, k is an integer of 0 to (16-m) and p and q are each an integer of 1 to 5.

  为提供一种金刚烷衍生物、一种具有金刚烷骨架的化合物、含有它们的组合物，可提供具有优异光学性能（如透明度和耐光性）、长期耐热性和电特性（如介电常数）的固化产品以及使用这些组合物的光电子元件。该金刚烷衍生物由通式（I）表示，具有金刚烷骨架的化合物由通式（VII）或（VIII）表示，含有它们的组合物以及使用树脂组合物的光电子元件。在公式中，W代表氢原子，X代表由通式（II）表示的基团，Y代表由公式（V）或（VI）表示的基团，R1代表甲基基团或乙基基团，R2代表含有O或S的C1至C10烃基团，m为2至4的整数，k为0至（16-m）的整数，p和q均为1至5的整数。
• 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。
• AROMATIC POLYCARBONATE RESIN PROCESS FOR PRODUCING THE SAME OPTICAL PART MOLDING MATERIAL AND OPTICAL PART
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：EP1469026B1

  公开（公告）日：2009-05-06