1-propionyloxy-2,3,4,5,6-pentamethylbenzene | 1345000-79-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 1-propionyloxy-2,3,4,5,6-pentamethylbenzene
• 英文别名: (2,3,4,5,6-Pentamethylphenyl) propanoate；(2,3,4,5,6-pentamethylphenyl) propanoate
• CAS: 1345000-79-4
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: HHJAWXQVPCAEGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  五甲基苯 、 丙酸 在 三苯基膦氯金 、 碘苯二乙酸 作用下， 以59%的产率得到1-propionyloxy-2,3,4,5,6-pentamethylbenzene
  参考文献：
  名称：

  Gold-Catalyzed Oxidative Acyloxylation of Arenes

  摘要：

  A variety of nonactivated hindered aromatic rings are acyloxylated (22 examples, up to 83% yield) in the presence of PPh3AuCl as the catalyst and di(acetoxy)iodobenzene as the oxidant. The reaction proceeds at 110 degrees C in an acid media and allows the formation of both hindered acetoxy and acyloxy derivatives. This methodology nicely complements the Pd-catalyzed arene acyloxylation reaction, which is not operating on hindered substrates and allows the Au-catalyzed unprecedented acyloxylation reaction of arenes, implying various carboxylic acids.

  DOI：

  10.1021/ol202577c

文献信息

• Metal-containing platensimycin analogues
  申请人：Ruhr-Universität Bochum

  公开号：EP2226329B1

  公开（公告）日：2013-07-10
• PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1196436A2

  公开（公告）日：2002-04-17
• [EN] PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE<br/>[FR] INHIBITEURS DE LA PROTEASE DU VIRUS DE L'HEPATITE C A BASE D'ACIDE BORONIQUE PEPTIDE
  申请人：DU PONT PHARM CO

  公开号：WO2001002424A2

  公开（公告）日：2001-01-11

  The present invention relates generally to novel α-aminoboronic acids and corresponding peptide analogs represented by structural Formula (I) or pharmaceutically acceptable salt forms thereof, wherein R?1, R2, R3, Y1, Y2¿, and A are described herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of hepatitis C viral infections. The compounds of the invention are inhibitors of hepatitis C viral protease.
• Gold-Catalyzed Oxidative Acyloxylation of Arenes
  作者：Alexandre Pradal、Patrick Y. Toullec、Véronique Michelet

  DOI：10.1021/ol202577c

  日期：2011.11.18

  A variety of nonactivated hindered aromatic rings are acyloxylated (22 examples, up to 83% yield) in the presence of PPh3AuCl as the catalyst and di(acetoxy)iodobenzene as the oxidant. The reaction proceeds at 110 degrees C in an acid media and allows the formation of both hindered acetoxy and acyloxy derivatives. This methodology nicely complements the Pd-catalyzed arene acyloxylation reaction, which is not operating on hindered substrates and allows the Au-catalyzed unprecedented acyloxylation reaction of arenes, implying various carboxylic acids.