4'-Methyl-3,5-di-tert.-butyl-4-hydroxy-biphenyl | 6257-38-1

• 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: 4'-Methyl-3,5-di-tert.-butyl-4-hydroxy-biphenyl
• 英文别名: 2,6-Di-tert.-butyl-4-(p)-tolyl-phenol；2,6-Di-tert-butyl-4-p-tolyl-phenol；2.6-Di-tert-butyl-4-p-tolyl-phenol；4-(p-Tolyl)-2,6-di-t-butylphenol；3,5-Di-tert-butyl-4'-methyl-4-biphenylol；2,6-ditert-butyl-4-(4-methylphenyl)phenol
• CAS: 6257-38-1
• 化学式: C₂₁H₂₈O
• 分子量: 296.453
• InChiKey: DVEQZTOWLAYDBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4'-Methyl-3,5-di-tert.-butyl-4-hydroxy-biphenyl 生成 2,6-Di-tert-butyl-4,5,6-trihydroxy-4-p-tolyl-cyclohex-2-enone
  参考文献：
  名称：

  Base-catalyzed oxygenation of tert-butylated phenols. 2. Formation of 3-aryl-2,5-di-tert-butyl-2,4-cyclopentadienones by base-catalyzed oxygenation of 4-aryl-2,6-di-tert-butylphenols: x-ray structure determination of 2,5-di-tert-butyl-3-(4-chlorophenyl)cyclopentadienone

  摘要：

  DOI：

  10.1021/ja00474a027
• 作为产物：
  描述：

  4-(4-Methyl-phenyl)-2,6-di-tert.-butyl-4-hydroxycyclohexadien-(2,5)-on 在 盐酸 、 锌 作用下， 以 甲醇 为溶剂， 生成 4'-Methyl-3,5-di-tert.-butyl-4-hydroxy-biphenyl
  参考文献：
  名称：

  Rieker,A.; Scheffler,K., Justus Liebigs Annalen der Chemie, 1965, vol. 689, p. 78 - 92

  摘要：

  DOI：

文献信息

• Novel Reduction of 2,6-Di-<i>t</i>-butyl-<i>p</i>-quinols with Sodium Borohydride
  作者：Akira Nishinaga、Shinya Kojima、Takahiro Mashino、Kazushige Maruyama

  DOI：10.1246/cl.1994.961

  日期：1994.5

  Reduction of 2,6-di-t-butyl-p-quinols with NaBH4 results unexpectedly in the regio- and stereoselective formation of the corresponding dihydro-p-quinols. The novel reduction occurs via a quinoxyborohydride anion intermediate, which regulates the stereochemistry of the 4- and 6-positions in the products. Aromatization of the products is blocked by the t-butyl groups.

  用 NaBH4 还原 2,6-二叔丁基-对羟基苯酚出人意料地导致相应二氢对羟基苯酚的区域选择性和立体选择性形成。新的还原反应是通过喹氧基硼氢化物阴离子中间体进行的，该中间体调节产物中 4 位和 6 位的立体化学。产物的芳构化被叔丁基阻止。
• Regioselective formation of peroxyquinolatocobalt(III) complexes in the oxygenation of 2,6-di-t-butylphenols with cobalt(II) Schiff-base complexes
  作者：Akira Nishinaga、Haruo Tomita、Kanji Nishizawa、Teruo Matsuura、Shunichiro Ooi、Ken Hirotsu

  DOI：10.1039/dt9810001504

  日期：——

  The oxygenation of 2,6-di-t-butylphenols with five-co-ordinate cobalt(II) Schiff-base complexes in aprotic solvents, such as CH2Cl2, thf, and dmf (thf = tetrahydrofuran, dmf = dimethylformamide), has been found to result in regioselective formation of peroxyquinolatocobalt(III) complexes. The regioselectivity depends on the nature of the substituent at the 4-position of the phenol used: 4-alkyl-2,6-di-t-butylphenols

  在质子惰性溶剂（例如CH 2 Cl 2，thf和dmf（thf =四氢呋喃，dmf =二甲基甲酰胺）中，用五坐标的席夫碱钴（II）Schiff碱络合氧化2,6-二叔丁基苯酚，已发现导致过氧喹诺酮钴（III）配合物的区域选择性形成。区域选择性取决于所用苯酚的4位上取代基的性质：4-烷基-2,6-二叔丁基苯酚（1）提供过氧-对-喹啉钴（III）配合物，而过氧-邻由4-芳基-2,6-二叔丁基苯酚（4）形成喹诺酮络合物。氧合作用的起始是超氧杂钴（III）提取氢。）酚类化合物，得到相应的苯氧基自由基（10）。随后用钴（II）物种快速还原（10），生成了苯并三价酚（III）配合物中间体，其中掺入了双氧。氧化的区域选择性归因于苯酚钴（III）配合物中间体的形成。所述过氧的晶体p -quinolatocobalt（III）复合物（2a）中是斜方晶系，空间群P 2 1 2 1 2 1，具有一个= 33.749（11），b
• Nematic liquid crystal composition and liquid crystal display element using same
  申请人：DIC CORPORATION (TOKYO)

  公开号：US10351772B2

  公开（公告）日：2019-07-16

  The present invention relates to a nematic liquid crystal composition containing a polymerizable compound and having a negative dielectric anisotropy (Δε) and PSA or PSVA liquid crystal display element produced by using the same. The liquid crystal composition according to the present invention can provide PSA or PSVA liquid crystal display element, in which a sufficient pretilt angle is included, the amount of remaining monomer is small, there are no or almost no problems, e.g., alignment defects and display defects, arisen from a low voltage holding rate (VHR) and the like, and excellent response performance is exhibited. A liquid crystal display element using the liquid crystal composition according to the present invention is useful for an active-matrix-drive liquid crystal display element and can be applied to PSA, PSVA, and other liquid crystal display elements.

  本发明涉及一种含有可聚合化合物且具有负介电各向异性（Δε）的向列液晶组合物，以及使用该组合物生产的 PSA 或 PSVA 液晶显示元件。根据本发明的液晶组合物可以提供 PSA 或 PSVA 液晶显示元件，其中包含足够的前倾角，剩余单体量少，不存在或几乎不存在由低电压保持率（VHR）等引起的对准缺陷和显示缺陷等问题，并表现出优异的响应性能。使用本发明液晶组合物的液晶显示元件适用于有源矩阵驱动液晶显示元件，也可应用于 PSA、PSVA 和其他液晶显示元件。
• Nematic liquid crystal composition, and liquid crystal display element manufactured using same
  申请人：DIC Corporation

  公开号：US10465113B2

  公开（公告）日：2019-11-05

  The present invention is a liquid crystal composition having negative dielectric anisotropy containing one or two or more of compounds represented by General Formula (i), and is also a liquid crystal display element using the liquid crystal composition. The problem to be solved by the present invention is to provide a liquid crystal composition with a large refractive index anisotropy (Δn), a low rotational viscosity (γ1), a large elastic constant (K33), a high voltage holding ratio (VHR), and which has a negative dielectric anisotropy (Δε), and a liquid crystal display element which, when using the liquid crystal composition, has a high response speed with excellent display quality in which display defects such as drop marks, burn-in, and display unevenness are absent or suppressed.

  本发明是一种具有负介电各向异性的液晶组合物，含有通式(i)所代表的一种或两种以上的化合物，同时也是一种使用该液晶组合物的液晶显示元件。本发明要解决的问题是提供一种具有大折射率各向异性 (Δn)、低旋转粘度 (γ1)、大弹性常数 (K33)、高电压保持比 (VHR) 并具有负介电各向异性 (Δε)的液晶组合物、以及一种液晶显示元件，当使用该液晶成分时，该元件具有高响应速度和优异的显示质量，其显示缺陷（如掉落痕迹、烧焦和显示不平整）不存在或被抑制。
• Liquid crystal composition and liquid crystal display device including the same
  申请人：DIC CORPORATION

  公开号：US10633590B2

  公开（公告）日：2020-04-28

  The present application provides a liquid crystal composition with high dielectric constant anisotropy and a low viscosity, and to provide a liquid crystal display device with high contrast, high-speed responsivity, high light fastness, and high display quality without image sticking and display defects. The liquid crystal composition contains one or two or more compounds represented by the general formula (I). The liquid crystal composition is of great practical use as a liquid crystal composition for use in liquid crystal displays and is effective for high contrast, high-speed response, and high quality reliability.

  本申请提供一种具有高介电常数各向异性和低粘度的液晶组合物，并提供一种具有高对比度、高速响应性、高耐光性和高显示质量且无图像粘连和显示缺陷的液晶显示设备。该液晶组合物含有一种或两种以上由通式（I）表示的化合物。该液晶组合物作为用于液晶显示器的液晶组合物具有很大的实用价值，可有效实现高对比度、高速响应和高质量可靠性。