3,3',5,5'-tetrakis(1,1-dimethylpropyl)-biphenyl-2,2'-diol | 6886-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3',5,5'-tetrakis(1,1-dimethylpropyl)-biphenyl-2,2'-diol
• 英文别名: 2,2'-Dihydroxy-3,3',5,5'-tetra-(1,1-dimethyl-propyl)-diphenyl；2,2'-Dihydroxy-3,3',5,5'-tetra-tert.-amyl-diphenyl；3,3',5,5'-Tetra-tert-pentyl-biphenyl-2,2'-diol；2-[2-Hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]-4,6-bis(2-methylbutan-2-yl)phenol
• CAS: 6886-44-8
• 化学式: C₃₂H₅₀O₂
• 分子量: 466.748
• InChiKey: IOBIJKQIPWVKRB-UHFFFAOYSA-N

物化性质

• 沸点：
  519.6±50.0 °C(Predicted)
• 密度：
  0.963±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  3,3',5,5'-tetrakis(1,1-dimethylpropyl)-biphenyl-2,2'-diol 生成 4,6,10,12-tetrakis(2-methylbutan-2-yl)-8,14-dioxatricyclo[7.4.1.02,7]tetradeca-1(13),2(7),3,5,9,11-hexaene
  参考文献：
  名称：

  MEIER H.; SCHNEIDER H.-P.; RIEKER A.; HITCHCOCK P. B., ANGEW. CHEM., 1978, 90, NO 2, 128-129

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二叔戊基苯酚 在 selenium(IV) oxide 、 溶剂黄146 作用下， 以41%的产率得到3,3',5,5'-tetrakis(1,1-dimethylpropyl)-biphenyl-2,2'-diol
  参考文献：
  名称：

  利用二氧化硒的溶剂依赖型二芳基硒化物和双酚的简便合成方法。

  摘要：

  双酚是有机催化中配体系统的重要结构基序，因此被包括在所谓的“特权配体”类别中。我们已经开发出一种新的合成途径，可以通过使用二氧化硒（一种稳定，功能强大且可商购的氧化剂）来构建这些结构。我们新的，易于执行的方案根据所使用的溶剂产生了双酚和二芳基硒化物。苯酚在乙酸中的氧化处理产生相应的双酚，而吡啶中的转化导致优选形成二芳基硒化物。结果，我们能够分离出范围广泛的新型二芳基硒化物，它们可以在有机合成中进一步应用或在过渡金属催化中用作配体状配体。

  DOI：

  10.1002/open.201500206

文献信息

• Controlling the Catalytic Aerobic Oxidation of Phenols
  作者：Kenneth Virgel N. Esguerra、Yacoub Fall、Laurène Petitjean、Jean-Philip Lumb

  DOI：10.1021/ja501789x

  日期：2014.5.28

  The oxidation of phenols is the subject of extensive investigation, but there are few catalytic aerobic examples that are chemo- and regioselective. Here we describe conditions for the ortho-oxygenation or oxidative coupling of phenols under copper (Cu)-catalyzed aerobic conditions that give rise to ortho-quinones, biphenols or benzoxepines. We demonstrate that each product class can be accessed selectively

  酚类的氧化是广泛研究的主题，但很少有具有化学和区域选择性的催化需氧实例。在这里，我们描述了在铜 (Cu) 催化的有氧条件下苯酚的正氧化或氧化偶联的条件，这些条件会产生邻醌、双酚或苯并氧杂环庚烷。We demonstrate that each product class can be accessed selectively by the appropriate choice of Cu(I) salt, amine ligand, desiccant and reaction temperature. 此外，我们评估了取代基对苯酚的影响，并证明了它们对原氧化和氧化偶联途径之间选择性的影响。
• Dinuclear Pentacoordinated Organoyttrium Biphenolates as Initiators for the Synthesis of High-Molecular Weight Isotactic Poly(2-vinylpyridine)
  作者：Masataka Oishi、Reiji Yoshimura、Nobuyoshi Nomura

  DOI：10.1021/acs.inorgchem.9b02385

  日期：2019.10.21

  were employed. Such dinuclear penta-coordinated yttrium complexes were evaluated as initiators in the polymerization of 2-vinylpyridine (2-VP). High activity and excellent isotacticity (mm > 99%) were observed. DSC analysis of poly(2-VP) showed a Tm = 221 °C, which is the highest value reported to date. Attempts to improve the low initiation efficiency of the present system were made by co-use with several

  从Y（CH 2 SiMe 3）3（THF）2和在3,3'-位带有大取代基的易于获得的双酚开始，首次合成了双核有机钇双酚复合物。XRD分析表明，即使使用外消旋双酚，这些复合物仍以同手性二聚体形式形成。评价这种双核五配位钇配合物作为2-乙烯基吡啶（2-VP）聚合中的引发剂。观察到高活性和优异的全同立构规整度（mm> 99％）。聚（2-VP）的DSC分析显示T m= 221°C，这是迄今为止报告的最高值。通过与几种有机主族金属试剂共同使用来尝试提高本系统的低引发效率。具体地说，通过添加Et 3 Al（Al / Y = 10），可以在高M n区内实现良好的分子量控制。
• Hindered bis-phenol phenyl phosphites and synthetic resin compositions having enhanced stability to heat and light
  申请人：ADEKA ARGUS CHEMICAL CO., Ltd.

  公开号：EP0032681A2

  公开（公告）日：1981-07-29

  Hindered bis-phenol phenyl phosphites are provided having the structure: wherein: R is selected from the group consisting of alkyl having from one up to about eighteen carbon atoms; cycloalkyl having from three up to about twelve carbon atoms; alkaryl and aryl having from six to about eighteen carbon atoms; preferably, a bulky group such as iso, secondary or tertiary alkyl having from three to about ten carbon atoms; or cycloalkyl having six to twelve carbon atoms; R, and R2 are each selected from the group consisting of hydrogen; alkyl having from one to about eighteen carbon atoms; cycloalkyl having from three up to about twelve carbon atoms; alkaryl and aryl having from six to about eighteen carbon atoms; and are preferably in a position ortho to a phenolic hydroxyl or phenoxy group, if available; R3 is alkylene having from one to about six carbon atoms; R4 is selected from the group consisting of alkylene, cycloalkylene, and aralkylene, the residue of a monohydric or polyhydric alcohol, having from one to about eighteen carbon atoms, and from none to three hydroxyl groups (originally one to four hydroxyl groups); Y is selected from the group consisting of a direct carbon to carbon bond; thio sulfur -S-; oxy oxygen -0-; alkylidene having from one to about six carbon atoms; and cycloalkylidene having from four to about eight carbon atoms; and n is 1, 2, 3, or 4, according to the valence of R4; as well as synthetic resin compositions having an enhanced resistance to deterioration by heat and/or light due to the presence of an organic phosphite of this class.

  提供了具有以下结构的受阻双酚苯基磷酸盐： 其中 R 选自具有 1 至约 18 个碳原子的烷基、具有 3 至约 12 个碳原子的环烷基、具有 6 至约 18 个碳原子的芳基和芳烷基组成的组中；最好是具有 3 至约 10 个碳原子的大块基团，如异烷基、仲烷基或叔烷基；或具有 6 至 12 个碳原子的环烷基； R和R2各自选自由氢、具有 1 至约 18 个碳原子的烷基、具有 3 至约 12 个碳原子的环烷基、具有 6 至约 18 个碳原子的烷芳基和芳基组成的组，且最好位于酚羟基或酚氧基的正交位置（如有）； R3 是具有 1 至约 6 个碳原子的亚烷基； R4 选自由烷基、环烷基、芳烷基、一元醇或多元醇的残余物组成的组，具有 1 至约 18 个碳原子，无至 3 个羟基（最初为 1 至 4 个羟基）； Y 选自以下组别：碳-碳直接键；硫-硫-S-；氧-氧-0-；具有一至六个碳原子的亚烷基；以及具有四至八个碳原子的亚环烷基；以及 根据 R4 的化合价，n 为 1、2、3 或 4；以及合成树脂组合物，由于该类有机亚磷酸酯的存在，其耐热和/或耐光性得到增强。
• Stabilizer composition and use thereof
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP0861847A2

  公开（公告）日：1998-09-02

  A stabilizer composition which manifests an improved effect against thermal degradation and oxidation degradation of an organic material comprises a phosphite of formula (I) wherein R1, R2, R4 and R5 each independently represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, a cycloalkyl group having 5 to 8 carbon atoms, an alkylcycloalkyl group having 6 to 12 carbon atoms, an aralkyl group having 7 to 12 carbon atoms or a phenyl group, R3 and R6 each independently represent a hydrogen atom or an alkyl group having 1 to 8 carbon atoms, X1 represents a divalent alcohol residue, X2 represents a direct bond or an alkylene group having 1 to 8 carbon atoms, and Y represents a hydroxyl group, and an amine (A).

  一种可改善有机材料热降解和氧化降解效果的稳定剂组合物包括式（I）的亚磷酸酯 其中 R1、R2、R4 和 R5 各自独立地代表氢原子、具有 1 至 8 个碳原子的烷基、具有 5 至 8 个碳原子的环烷基、具有 6 至 12 个碳原子的烷基环烷基、具有 7 至 12 个碳原子的芳烷基或苯基、R3 和 R6 各自独立地代表氢原子或具有 1 至 8 个碳原子的烷基，X1 代表二价醇残基，X2 代表直接键或具有 1 至 8 个碳原子的亚烷基，Y 代表羟基和胺 (A)。
• Pastor, Stephen D.; Spivack, John D.; Steinhuebel, L. P., Phosphorus and Sulfur and the Related Elements, 1983, vol. 15, p. 253 - 256
  作者：Pastor, Stephen D.、Spivack, John D.、Steinhuebel, L. P.、Matzura, Cynthia

  DOI：——

  日期：——