2-(4-methoxybenzyl)-5-phenyloxazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-methoxybenzyl)-5-phenyloxazole
• 英文别名: 2-[(4-Methoxyphenyl)methyl]-5-phenyl-1,3-oxazole
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: AQYVOPHZWQBUNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-苯基恶唑 、 4-甲氧基氯苄 在 NHC-Pd(II)-Im 、 lithium tert-butoxide 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以83%的产率得到2-(4-methoxybenzyl)-5-phenyloxazole
  参考文献：
  名称：

  N-heterocyclic carbene-Pd(II)-1-methylimidazole complex catalyzed C–H bond benzylation of (benzo)oxazoles with benzyl chlorides

  摘要：

  The first example of phosphine-free, NHC-Pd(II) complex catalyzed direct C-H bond benzylation of (benzo)oxazoles with benzyl chlorides was reported in this paper. Under the suitable conditions, all reactions worked well enough to give the desired C2-benzylated products in good to almost quantitative yields, providing a facile and straight pathway for the C-H bond benzylation of (benzo)oxazoles within short time. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.07.030

文献信息

• Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof
  申请人：Mendoza Serafin Jose

  公开号：US20080015193A1

  公开（公告）日：2008-01-17

  Certain oxazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, methods of using compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions comprising compounds exhibiting ATP-utilizing enzyme inhibitory activity, are disclosed.

  本发明涉及一些呈现出ATP利用酶抑制活性的噁唑基化合物，使用呈现出ATP利用酶抑制活性的化合物的方法，以及包含呈现出ATP利用酶抑制活性的化合物的组合物。
• [EN] CERTAIN AZOLES EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF<br/>[FR] AZOLES DOTÉS D'UNE ACTIVITÉ INHIBITRICE ENZYMATIQUE UTILISANT L'ATP, COMPOSITIONS, ET LEURS UTILISATIONS
  申请人：AMPHORA DISCOVERY CORP

  公开号：WO2007149395A2

  公开（公告）日：2007-12-27

  [EN] Certain oxazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, methods of using compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions comprising compounds exhibiting ATP-utilizing enzyme inhibitory activity, are disclosed.
  [FR] La présente invention concerne des composés à base d'oxazole présentant une activité inhibitrice enzymatique utilisant l'ATP, des procédés d'utilisation des composés présentant une activité inhibitrice enzymatique utilisant l'ATP, et des compositions contenant les composés présentant une activité inhibitrice enzymatique utilisant l'ATP.
• N-heterocyclic carbene-Pd(II)-1-methylimidazole complex catalyzed C–H bond benzylation of (benzo)oxazoles with benzyl chlorides
  作者：Ya-Yun Ji、Yu Zhang、Yuan-Yuan Hu、Li-Xiong Shao

  DOI：10.1016/j.tet.2015.07.030

  日期：2015.9

  The first example of phosphine-free, NHC-Pd(II) complex catalyzed direct C-H bond benzylation of (benzo)oxazoles with benzyl chlorides was reported in this paper. Under the suitable conditions, all reactions worked well enough to give the desired C2-benzylated products in good to almost quantitative yields, providing a facile and straight pathway for the C-H bond benzylation of (benzo)oxazoles within short time. (C) 2015 Elsevier Ltd. All rights reserved.