2-allyl-6-(tert-butyl)-4-methylphenol | 2253-69-2

• 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: 2-allyl-6-(tert-butyl)-4-methylphenol
• 英文别名: 2-tert-Butyl-4-methyl-6-(prop-2-en-1-yl)phenol；2-tert-butyl-4-methyl-6-prop-2-enylphenol
• CAS: 2253-69-2
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: ZRUOCGQIPKXQMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• 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

安全信息

• 海关编码：
  2907199090

反应信息

• 作为反应物：
  描述：

  2-allyl-6-(tert-butyl)-4-methylphenol 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以40%的产率得到2-Tert-butyl-4-methyl-6-prop-1-enylphenol
  参考文献：
  名称：

  Boosting effect of ortho- propenyl substituent on the antioxidant activity of natural phenols

  摘要：

  Seven new antioxidants derived from natural or synthetic phenols have been designed as alternatives to BHT and BHA antioxidants. Influence of various substituents at the ortho, meta and para positions of the aromatic core of phenols on the bond dissociation enthalpy of the ArO-H bond was evaluated using a DFT method B3LYP/6-311++G(2d,2p)//B3LYP/6-311G(d,p). This prediction highlighted the ortho-propenyl group as the best substituent to decrease the bond dissociation enthalpy (BDE) value. The rate constants of hydrogen transfer from these phenols to DPPH. radical in a non-polar and non-protic solvent have been measured and were found to be in agreement with the BDE calculations. For o-propenyl derivatives from 2-tert-butyl-4-methylphenol, BHA, creosol, isoeugenol and di-o-propenyl p-cresol, fewer radicals were trapped by a single phenol molecule, i.e. a lower stoichiometric number. Reaction mechanisms involving the evolution of the primary phenoxyl radical ArO are proposed to rationalise these effects. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2015.09.007
• 作为产物：
  描述：

  叔-丁基对甲酚 在 氢氧化钾 作用下， 生成 2-allyl-6-(tert-butyl)-4-methylphenol
  参考文献：
  名称：

  Buu-Hoi; Hiong-Ki-Wei; Royer, Bulletin de la Societe Chimique de France, 1945, vol. <5> 12, p. 866,869

  摘要：

  DOI：

文献信息

• Investigating the microwave-accelerated Claisen rearrangement of allyl aryl ethers: Scope of the catalysts, solvents, temperatures, and substrates
  作者：Zi Hui、Songwei Jiang、Xiang Qi、Xiang-Yang Ye、Tian Xie

  DOI：10.1016/j.tetlet.2020.151995

  日期：2020.6

  The microwave-accelerated Claisen rearrangement of allyl aryl ethers was investigated, in order to gain insight into the scope of the catalysts, solvents, temperatures, and substrates. Among the catalysts examined, phosphomolybdic acid (PMA) was found to greatly accelerate the reaction in NMP, at temperatures ranging from 220 to 300 °C. This method was found to be useful for preparing several intermediates

  对微波加速烯丙基芳基醚的克莱森重排进行了研究，以便深入了解催化剂，溶剂，温度和底物的范围。在所考察的催化剂中，发现磷钼酸（PMA）在220至300°C的温度下可大大促进NMP中的反应。发现该方法对于使用贵金属催化剂例如Au（I），Ag（I）和Pt（II）制备先前在文献中报道的几种中间体是有用的。另外，在芳基部分带有溴和硝基的底物需要仔细调整反应条件，以避免复杂的产物分布。
• Aromatische sigmatropische Wasserstoffverschiebungen in 2-Vinyl- und 2-Allylphenolen
  作者：Hans-J�rgen Hansen

  DOI：10.1002/hlca.19770600624

  日期：1977.9.21

  Aromatic Sigmatropic Hydrogen-Shifts in 2-Vinyl- and 2-Allyl-phenols

  2-乙烯基和2-烯丙基苯酚的芳香性向氢转移
• Radiation curable thiol-ene composition
  申请人：Dias Angelo Athanasius Aylvin Jorge

  公开号：US20070043205A1

  公开（公告）日：2007-02-22

  The invention relates to a curable thiol-ene composition comprising either compound A and compound B, or a compound B further comprising polythiol functionality as defined under (A), wherein (A) a polythiol, (B) a compound having a plurality of cyclic ene groups thereon, wherein said compound (B) comprises a carbonyl group directly attached to at least one cyclic ene group and comprises at least one hydrogen donating group, wherein the distance between at least one of said cyclic ene groups and at least one of said hydrogen donating groups is at least two skeletal bonds, wherein compound (B) does not contain a (meth)acrylate group, and 0-10 wt. % of a (free-radical) photoinitiator. The invention further relates to the use of such composition fiber optical coating, stereolithography resin, medical coating and adhesive.

  本发明涉及一种可固化的硫醇烯组合物，包括化合物A和化合物B，或者进一步包括聚硫醇功能的化合物B，其定义如下：（A）为聚硫醇，（B）为具有多个环烯基团的化合物，其中所述化合物（B）包括直接连接至至少一个环烯基团的羰基基团，并且包括至少一个氢供体基团，其中至少一个所述环烯基团与至少一个所述氢供体基团之间的距离至少为两个骨架键，其中化合物（B）不含（甲基）丙烯酸酯基团，并且0-10重量％为（自由基）光引发剂。本发明还涉及使用这种组合物进行光纤涂层、立体光刻树脂、医疗涂层和粘合剂的方法。
• Storage-stable one-component air activated formulations of polythiol and polyene employing iron compound
  申请人：LOCTITE (IRELAND) LIMITED

  公开号：EP0810251A2

  公开（公告）日：1997-12-03

  Storage-stable one-component air activated formulations of polythiol and polyene employ an activator system which includes a soluble iron compound. The compositions are free of compounds having a structure of the formula I below: are free of oxime compounds, are free of peroxides or peroxide precursor compounds which produce peroxide in the absence of air and are free of other ingredients, which under dark conditions are significant source of radicals in the absence of air. The iron compound is combined with the polythiol and polyene components of the inventive composition under anaerobic conditions and then maintained under anaerobic conditions until the time of use.

  贮存稳定的单组分聚硫醇和聚烯空气活化制剂采用了一种包括可溶性铁化合物的活化剂体系。这些组合物不含具有下式 I 结构的化合物： 不含肟化合物，不含过氧化物或过氧化物前体化合物，这些化合物在没有空气的情况下会产生过氧化物，也不含其他成分，这些成分在黑暗条件下，在没有空气的情况下是自由基的重要来源。铁化合物在厌氧条件下与本发明组合物中的聚硫醇和聚烯成分结合，然后在厌氧条件下保持到使用时。
• Photopolymerizable compositions for solventless fiber spinning
  申请人：Ellison Christopher

  公开号：US10221503B2

  公开（公告）日：2019-03-05

  Disclosed are methods of fiber spinning and polymer fibers that utilize multifunctional thiol and enes compounds. Also, the subject matter disclosed herein relates to uses of polymer fibers and articles prepared from such fibers.

  本文公开了利用多功能硫醇和烯化合物的纤维纺丝方法和聚合物纤维。此外，本文公开的主题还涉及聚合物纤维的用途以及用此类纤维制备的物品。