1-(3-苯基-2-苯基甲氧基苯基)乙酮 | 913721-75-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-苯基-2-苯基甲氧基苯基)乙酮
• 英文名称: 2-benzyloxy-3-phenylacetophenone
• 英文别名: 1-(2-(Benzyloxy)biphenyl-3-yl)ethanone；1-(3-phenyl-2-phenylmethoxyphenyl)ethanone
• CAS: 913721-75-2
• 化学式: C₂₁H₁₈O₂
• 分子量: 302.373
• InChiKey: VONJAWORXGYVEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-苯基-2-苯基甲氧基苯基)乙酮 在 间氯过氧苯甲酸 作用下， 以 乙酸乙酯 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  WB4101-Related Compounds:  New, Subtype-Selective α₁-Adrenoreceptor Antagonists (or Inverse Agonists?)

  摘要：

  Our previous structure-affinity relationship study had considered the enantiomers of the naphthodioxane, tetrahydronaphthodioxane, and 2-methoxy-1-naphthoxy analogues ( compounds 1, 3, and 2, respectively) of 2-(2,6-dimethoxyphenoxyethylaminomethyl)-1,4-benzodioxane, the well-known alpha(1)-adrenoceptor (alpha(1)-AR) antagonist WB4101, showing that such modifications significantly modulate the affinity and selectivity profile for alpha(1)-AR subtypes and 5-HT1A receptor. Here, we extend investigations to antagonist activity enclosing new enantiomeric pairs, namely those of the methoxytetrahydronaphthoxy and methoxybiphenyloxy WB4101 analogues (4 and 5-7, respectively) and of a double- modified WB4101 derivative ( 8) resulting from hybridization between 2 and 3. We found that (S)-2 is a very potent (pA(2) 10.68) and moderately selective alpha(1D)-AR antagonist and the hybrid (S)-8 is a potent (pA(2) 7.98) and highly selective alpha(1A)-AR antagonist. Both of these compounds and (S)-WB4101 seem to act as inverse agonists in a vascular model. The results, which generally validate the logic we followed in designing these eight compounds, are acceptably rationalized by comparative SAR analysis of binding and functional affinities.

  DOI：

  10.1021/jm060358r
• 作为产物：
  描述：

  邻苯基苯酚 在 吡啶 、 sodium hydroxide 、 三氯化铝 、 四丁基溴化铵 作用下， 以 二氯甲烷 、 邻二氯苯 为溶剂， 反应 51.0h， 生成 1-(3-苯基-2-苯基甲氧基苯基)乙酮
  参考文献：
  名称：

  WB4101-Related Compounds:  New, Subtype-Selective α₁-Adrenoreceptor Antagonists (or Inverse Agonists?)

  摘要：

  Our previous structure-affinity relationship study had considered the enantiomers of the naphthodioxane, tetrahydronaphthodioxane, and 2-methoxy-1-naphthoxy analogues ( compounds 1, 3, and 2, respectively) of 2-(2,6-dimethoxyphenoxyethylaminomethyl)-1,4-benzodioxane, the well-known alpha(1)-adrenoceptor (alpha(1)-AR) antagonist WB4101, showing that such modifications significantly modulate the affinity and selectivity profile for alpha(1)-AR subtypes and 5-HT1A receptor. Here, we extend investigations to antagonist activity enclosing new enantiomeric pairs, namely those of the methoxytetrahydronaphthoxy and methoxybiphenyloxy WB4101 analogues (4 and 5-7, respectively) and of a double- modified WB4101 derivative ( 8) resulting from hybridization between 2 and 3. We found that (S)-2 is a very potent (pA(2) 10.68) and moderately selective alpha(1D)-AR antagonist and the hybrid (S)-8 is a potent (pA(2) 7.98) and highly selective alpha(1A)-AR antagonist. Both of these compounds and (S)-WB4101 seem to act as inverse agonists in a vascular model. The results, which generally validate the logic we followed in designing these eight compounds, are acceptably rationalized by comparative SAR analysis of binding and functional affinities.

  DOI：

  10.1021/jm060358r

文献信息

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

  公开号：US20110098429A1

  公开（公告）日：2011-04-28

  This invention relates to Group 4 catalyst compounds containing di-anionic tridentate nitrogen/oxygen based ligands. The catalyst compounds are useful, with or without activators, to polymerize olefins, particularly a-olefins, or other unsaturated monomers. Systems and processes to oligomerize and/or polymerize one or more unsaturated monomers using the catalyst compound, as well as the oligomers and/or polymers produced therefrom are also provided.

  本发明涉及含有二阴离子三齿氮/氧基配体的4族催化剂化合物。这些催化剂化合物可用于聚合烯烃，特别是α-烯烃或其他不饱和单体，无论是否使用活化剂。本发明还提供了使用该催化剂化合物寡聚和/或聚合一个或多个不饱和单体的系统和过程，以及由此产生的寡聚物和/或聚合物。
• Catalyst compounds and use thereof
  申请人：Giesbrecht Garth R.

  公开号：US08541522B2

  公开（公告）日：2013-09-24

  This invention relates to Group 4 catalyst compounds containing di-anionic tridentate nitrogen/oxygen based ligands. The catalyst compounds are useful, with or without activators, to polymerize olefins, particularly α-olefins, or other unsaturated monomers. Systems and processes to oligomerize and/or polymerize one or more unsaturated monomers using the catalyst compound, as well as the oligomers and/or polymers produced therefrom are also provided.

  本发明涉及含有双阴离子三齿氮/氧基配体的四群催化剂化合物。该催化剂化合物在有或没有活化剂的情况下，可用于聚合烯烃，特别是α-烯烃或其他不饱和单体。本发明还提供了使用该催化剂化合物寡聚和/或聚合一个或多个不饱和单体的系统和方法，以及由此产生的寡聚物和/或聚合物。
• CATALYST COMPOUNDS AND USE THEREOF
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP2493932A2

  公开（公告）日：2012-09-05
• US8541522B2
  申请人：——

  公开号：US8541522B2

  公开（公告）日：2013-09-24
• [EN] CATALYST COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS CATALYTIQUES ET LEUR UTILISATION
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2011056423A2

  公开（公告）日：2011-05-12

  This invention relates to Group 4 catalyst compounds containing di-anionic tridentate nitrogen/oxygen based ligands. The catalyst compounds are useful, with or without activators, to polymerize olefins, particularly α-olefms, or other unsaturated monomers. Systems and processes to oligomerize and/or polymerize one or more unsaturated monomers using the catalyst compound, as well as the oligomers and/or polymers produced therefrom are also provided.