4-(allyloxy)phenyl benzoate | 88561-74-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-(allyloxy)phenyl benzoate
• 英文别名: 1-allyloxy-4-benzoyloxy-benzene；1-Allyloxy-4-benzoyloxy-benzol；Hydrochinon-allylaether-benzoat；(4-prop-2-enoxyphenyl) benzoate
• CAS: 88561-74-4
• 化学式: C₁₆H₁₄O₃
• 分子量: 254.285
• InChiKey: XETBPSOWFREJRD-UHFFFAOYSA-N

物化性质

• 熔点：
  102-103 °C(Solv: ethanol (64-17-5))
• 沸点：
  388.7±25.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(allyloxy)phenyl benzoate 生成 2-allyl-1,4-bis-benzoyloxy-benzene
  参考文献：
  名称：

  Hahn; Stenner, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1929, vol. 181, p. 100

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-二(丙-2-烯氧基)苯 在 bis(1,5-cyclooctadiene)nickel (0) 、 二苯基硅烷 、 potassium carbonate 、 三乙胺 、 4,4'-二叔丁基-2,2'-二吡啶 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 34.67h， 生成 4-(allyloxy)phenyl benzoate
  参考文献：
  名称：

  镍催化芳基烯丙基醚与氢硅烷的脱烯丙基化

  摘要：

  以市售Ni(COD)为催化剂前驱体、简单取代联吡啶为配体和空气稳定的氢硅烷，开发了一种高效、温和的芳基烯丙基醚催化脱烯丙基化方法。该工艺与多种官能团兼容，并且能够以优异的产率和选择性获得所需的苯酚产品。此外，通过检测或分离关键中间体，机制研究证实脱烯丙基化经历了-烯丙基镍中间体途径。

  DOI：

  10.1016/j.tetlet.2021.153341

文献信息

• Process of preparing liquid crystal compositions containing multiple oriented mesogens
  申请人：HERCULES INCORPORATED

  公开号：EP0445629A2

  公开（公告）日：1991-09-11

  The invention is a process for preparing a polymeric liquid crystal composition, e.g., a film or fiber, comprising aligning a nematic or smectic monomeric mesophase (liquid crystal monomer) and photopolymerizing the mesophase, characterized in that the mesophase is aligned in a multi-oriented state prior to photopolymerizing the mesophase. Preferably, alignment is a two or more step process wherein the first step comprises aligning the mesophase in a homeotropic or homogeneous alignment using conventional techniques or linearly polarized light (described below), and the second and subsequent steps comprise aligning a portion of the mesophase using linearly polarized light. In a second embodiment, the invention is a liquid crystal polymer composition, such as a film or fiber, comprising polymeric liquid crystals having aligned multiple oriented mesogens. The composition is preferably in the form of a film or fiber which is adhered to a substrate, part of a liquid crystal display cell, or a free standing polymeric film or fiber.

  本发明是一种用于制备聚合物液晶组合物（如薄膜或纤维）的工艺，包括对向列或共晶单体介相（液晶单体）进行配向和对介相进行光聚合，其特征在于，在对介相进行光聚合之前，介相以多取向状态配向。优选地，对准是一个两步或多步过程，其中第一步包括使用传统技术或线性偏振光（如下所述）将介相对准为同向或同质对准，第二步和后续步骤包括使用线性偏振光对准介相的一部分。 在第二个实施方案中，本发明是一种液晶聚合物组合物，如薄膜或纤维，包含具有对齐多取向介相的聚合物液晶。该组合物最好是薄膜或纤维的形式，它粘附在基底上，是液晶显示单元的一部分，或者是独立的聚合物薄膜或纤维。
• Design, synthesis and SAR studies of 4-allyoxyaniline amides as potent 15-lipoxygensae inhibitors
  作者：Seyed Mohammad Seyedi、Zeinab Jafari、Neda Attaran、Hamid Sadeghian、Mohammad Reza Saberi、Mohammad Mahdi Riazi

  DOI：10.1016/j.bmc.2008.12.065

  日期：2009.2

  A group of 4-allyloxyaniline amides 5a-o were designed, synthesized and evaluated as potential inhibitors of soybean 15-lipoxygenase (SLO) on the basis of eugenol and esteragol structures. Compound 5e showed the best IC(50) in SLO inhibition (IC(50) = 0.67 +/- 0.06 mu M). All compounds were docked in SLO active site retrieved from RCSB Protein Data Bank (PDB entry: 1IK3) and showed that allyloxy group of compounds is oriented towards the Fe(3+)-OH moiety in the active site of enzyme and fixed by hydrogen bonding with two conserved His(513) and Gln(716). It is resulted that molecular volume of the amide moiety would be a major factor in inhibitory potency variation of the synthetic amides, where the hydrogen bonding of the amide group could also involve in the activity of the inhibitors. (c) 2009 Elsevier Ltd. All rights reserved.
• US5073294A
  申请人：——

  公开号：US5073294A

  公开（公告）日：1991-12-17
• Nickel-catalyzed deallylation of aryl allyl ethers with hydrosilanes
  作者：Jingyang Wang、Yu Wang、Guangni Ding、Xiaoyu Wu、Liqun Yang、Sijie Fan、Zhaoguo Zhang、Xiaomin Xie

  DOI：10.1016/j.tetlet.2021.153341

  日期：2021.9

  An efficient and mild catalytic deallylation method of aryl allyl ethers is developed, with commercially available Ni(COD) as catalyst precursor, simple substituted bipyridine as ligand and air-stable hydrosilanes. The process is compatible with a variety of functional groups and the desired phenol products can be obtained with excellent yields and selectivity. Besides, by detection or isolation of

  以市售Ni(COD)为催化剂前驱体、简单取代联吡啶为配体和空气稳定的氢硅烷，开发了一种高效、温和的芳基烯丙基醚催化脱烯丙基化方法。该工艺与多种官能团兼容，并且能够以优异的产率和选择性获得所需的苯酚产品。此外，通过检测或分离关键中间体，机制研究证实脱烯丙基化经历了-烯丙基镍中间体途径。
• Hahn; Stenner, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1929, vol. 181, p. 100
  作者：Hahn、Stenner

  DOI：——

  日期：——