2-benzyloxy-3-t-butylanisole | 914454-84-5

• 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-benzyloxy-3-t-butylanisole
• 英文别名: 1-Tert-butyl-3-methoxy-2-phenylmethoxybenzene
• CAS: 914454-84-5
• 化学式: C₁₈H₂₂O₂
• 分子量: 270.371
• InChiKey: QSLXCMYPCQMOHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-benzyloxy-3-t-butylanisole 在 palladium on activated charcoal 氢氧化钾 、 sodium azide 、 四丁基溴化铵 、 氢气 、 一水合肼 、 1,3-丙二醇 作用下， 以 甲醇 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 2-(2-t-butyl-6-methoxyphenoxy)ethylamine
  参考文献：
  名称：

  QSAR study for a novel series of ortho disubstituted phenoxy analogues of α1-adrenoceptor antagonist WB4101

  摘要：

  On the basis of the affinities at the alpha(1a)-, alpha(1b)- and alpha(1d)-adrenoceptors and the 5-HT1A receptor of a previous series of sixteen 2-[(2-phenoxyethyl)aminomethyl]-1,4-benzodioxanes ortho monosubstituted at the phenoxy moiety, a number of ortho disubstituted analogues were designed, synthesized in both the enantiomeric forms and tested in binding assays on the same receptors. The affinity values of the new compounds 1-11 were compared with those of the enantiomers of the 2,6-dimethoxyphenoxy analogue, the well-known alpha 1 antagonist WB4101, and of the ortho monosubstituted derivatives, suggesting some distinctive aspects of the interaction of the phenoxy moiety, in particular with the alpha 1a-AR and the 5-HT1A receptor, of the monosubstituted and the disubstituted compounds. A classical quantitative structure-activity relationship (Hansch) analysis was applied to the whole set of the S enantiomers of the ortho mono- and disubstituted WB4101 analogues (26 compounds), finding a very good correlation for the a,, affinity. For this latter, a significant parabolic relationship was also found with the volume of the two ortho substituents. Diametrically opposite, the same relationships for the 5-HT1A exhibit low or insignificant correlation coefficients. (c) 2006 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.04.004
• 作为产物：
  描述：

  3-叔丁基-2-羟基苯甲醛 在 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 40.5h， 生成 2-benzyloxy-3-t-butylanisole
  参考文献：
  名称：

  通过氧化偶联方法进行边缘修饰的多环芳烃

  摘要：

  形成了烷氧基高度边缘修饰的多环芳烃（PAH）。酚的氧化交叉偶联构建框架，无需传统方法所需的预官能化。此外，相对于类似尺寸的系统，可以实现更小的光学间隙。

  DOI：

  10.1002/chem.202203405

文献信息

• Catalyst Compounds and Use Thereof
  申请人：GIESBRECHT Garth R.

  公开号：US20110098431A1

  公开（公告）日：2011-04-28

  This invention relates to Group 4 dialkyl compounds supported by a pyridyl-amido-aryl (“PAA”), an anisole-amido-aryl (“AAA”), a phenoxy-amido-pyridyl (“PAPY”), an anisole-amido-phenoxy (“AAP”) or a anisole-amido-phenoxy (“AAP”) tridentate ligand. Such compounds can polymerize olefins, such as ethylene.

  本发明涉及由吡啶基氨基芳基（“PAA”）、甲氧基基氨基芳基（“AAA”）、苯氧基氨基吡啶基（“PAPY”）、甲氧基基氨基苯氧基（“AAP”）或甲氧基基苯氧基（“AAP”）三齿配体支撑的第四族二烷基化合物。这些化合物可以聚合烯烃，例如乙烯。
• US8530593B2
  申请人：——

  公开号：US8530593B2

  公开（公告）日：2013-09-10
• QSAR study for a novel series of ortho disubstituted phenoxy analogues of α1-adrenoceptor antagonist WB4101
  作者：M. Pallavicini、L. Fumagalli、M. Gobbi、C. Bolchi、S. Colleoni、B. Moroni、A. Pedretti、C. Rusconi、G. Vistoli、E. Valoti

  DOI：10.1016/j.ejmech.2006.04.004

  日期：2006.9

  On the basis of the affinities at the alpha(1a)-, alpha(1b)- and alpha(1d)-adrenoceptors and the 5-HT1A receptor of a previous series of sixteen 2-[(2-phenoxyethyl)aminomethyl]-1,4-benzodioxanes ortho monosubstituted at the phenoxy moiety, a number of ortho disubstituted analogues were designed, synthesized in both the enantiomeric forms and tested in binding assays on the same receptors. The affinity values of the new compounds 1-11 were compared with those of the enantiomers of the 2,6-dimethoxyphenoxy analogue, the well-known alpha 1 antagonist WB4101, and of the ortho monosubstituted derivatives, suggesting some distinctive aspects of the interaction of the phenoxy moiety, in particular with the alpha 1a-AR and the 5-HT1A receptor, of the monosubstituted and the disubstituted compounds. A classical quantitative structure-activity relationship (Hansch) analysis was applied to the whole set of the S enantiomers of the ortho mono- and disubstituted WB4101 analogues (26 compounds), finding a very good correlation for the a,, affinity. For this latter, a significant parabolic relationship was also found with the volume of the two ortho substituents. Diametrically opposite, the same relationships for the 5-HT1A exhibit low or insignificant correlation coefficients. (c) 2006 Elsevier SAS. All rights reserved.
• Edge‐Decorated Polycyclic Aromatic Hydrocarbons by an Oxidative Coupling Approach
  作者：Philip Gilmartin、Cassandra Vu、Madeline Rotella、Jasjit Kaur、Marisa Kozlowski

  DOI：10.1002/chem.202203405

  日期：2023.2.16

  Alkoxy highly edge-decorated polycylic aromatic hydrocarbons (PAHs) have been formed. Oxidative cross coupling of phenols constructs frameworks without any need for the prefunctionalization required by conventional methods. Moreover, smaller optical gaps can be achieved relative to systems of similar size.

  形成了烷氧基高度边缘修饰的多环芳烃（PAH）。酚的氧化交叉偶联构建框架，无需传统方法所需的预官能化。此外，相对于类似尺寸的系统，可以实现更小的光学间隙。