5-Methoxy-3,3-dimethyl-1-benzofuran-2-one | 1418028-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-Methoxy-3,3-dimethyl-1-benzofuran-2-one
• 英文别名: 5-methoxy-3,3-dimethyl-1-benzofuran-2-one
• CAS: 1418028-05-3
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: ZOHAFWNICQYVLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3-甲氧基苯基)-2-甲基丙腈 在 异丙基溴化镁 、 三苯基膦 、 cobalt(II) chloride 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙二醇 为溶剂， 反应 22.0h， 生成 5-Methoxy-3,3-dimethyl-1-benzofuran-2-one
  参考文献：
  名称：

  Cobalt-catalyzed C H activation/C O formation: Synthesis of benzofuranones

  摘要：

  Herein, C-H activation/C-O formation reaction using novel cobalt catalytic system is reported. This reaction was given benzofuranones in moderate to excellent yields at room-temperature under air reaction conditions. The introduced strategy is efficient and low-cost method to synthesized benzofuranones from alpha,alpha-disubstitution acetic acid. (C) 2019 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2019.151396

文献信息

• Pd(II)-Catalyzed Enantioselective C–H Activation/C–O Bond Formation: Synthesis of Chiral Benzofuranones
  作者：Xiu-Fen Cheng、Yan Li、Yi-Ming Su、Feng Yin、Jian-Yong Wang、Jie Sheng、Harit U. Vora、Xi-Sheng Wang、Jin-Quan Yu

  DOI：10.1021/ja311259x

  日期：2013.1.30

  Pd(II)-catalyzed enantioselective C-H activation of phenylacetic acids followed by an intramolecular C-O bond formation afforded chiral benzofuranones. This reaction provides the first example of enantioselecctive C-H functionalizations through Pd(II)/Pd(IV) redox catalysis.
• Cobalt-catalyzed C H activation/C O formation: Synthesis of benzofuranones
  作者：Abdol R. Hajipour、Zahra Khorsandi

  DOI：10.1016/j.tetlet.2019.151396

  日期：2020.1

  Herein, C-H activation/C-O formation reaction using novel cobalt catalytic system is reported. This reaction was given benzofuranones in moderate to excellent yields at room-temperature under air reaction conditions. The introduced strategy is efficient and low-cost method to synthesized benzofuranones from alpha,alpha-disubstitution acetic acid. (C) 2019 Elsevier Ltd. All rights reserved.