isobutyric acid 4-isobutyroyloxynaphthalen-1-yl ester | 41245-28-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: isobutyric acid 4-isobutyroyloxynaphthalen-1-yl ester
• 英文别名: [4-(2-Methylpropanoyloxy)naphthalen-1-yl] 2-methylpropanoate
• CAS: 41245-28-7
• 化学式: C₁₈H₂₀O₄
• 分子量: 300.354
• InChiKey: OOARHPULTUFBQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异丁醛 、 1,4-萘醌 在 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到isobutyric acid 4-hydroxynaphthalen-1-yl ester
  参考文献：
  名称：

  N-Heterocyclic Carbene-Catalyzed Monoacylation of 1,4-Naphthoquinones with Aldehydes

  摘要：

  The NHC-catalyzed conjugate hydroacylation of 1,4-naphthoquinones allows for the synthesis of monoacylated 1,4-dihydroxynaphthalene derivatives. These targets, difficult to prepare selectively by standard protocols, represent important intermediates in the elaboration of highly substituted 1,4-naphthoquinone derivatives, which constitute relevant pharmaceutical scaffolds. High regioselectivity has been observed in the hydroacylation reaction when starting from nonsymmetrical quinones.

  DOI：

  10.1021/jo902235h

文献信息

• N-Heterocyclic Carbene-Catalyzed Monoacylation of 1,4-Naphthoquinones with Aldehydes
  作者：María Teresa Molina、Cristina Navarro、Ana Moreno、Aurelio G. Csákÿ

  DOI：10.1021/jo902235h

  日期：2009.12.18

  The NHC-catalyzed conjugate hydroacylation of 1,4-naphthoquinones allows for the synthesis of monoacylated 1,4-dihydroxynaphthalene derivatives. These targets, difficult to prepare selectively by standard protocols, represent important intermediates in the elaboration of highly substituted 1,4-naphthoquinone derivatives, which constitute relevant pharmaceutical scaffolds. High regioselectivity has been observed in the hydroacylation reaction when starting from nonsymmetrical quinones.