5-allyloxy-2,2'-difluoro-4-(1,1-dimethylpropargyloxy)-5'-methoxybenzophenone | 1296257-48-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-allyloxy-2,2'-difluoro-4-(1,1-dimethylpropargyloxy)-5'-methoxybenzophenone
• 英文别名: (2-Fluoro-5-methoxyphenyl)-[2-fluoro-4-(2-methylbut-3-yn-2-yloxy)-5-prop-2-enoxyphenyl]methanone
• CAS: 1296257-48-1
• 化学式: C₂₂H₂₀F₂O₄
• 分子量: 386.395
• InChiKey: DQZBVJJEQKUHJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-allyloxy-2,2'-difluoro-4-(1,1-dimethylpropargyloxy)-5'-methoxybenzophenone 以 甲苯 为溶剂， 以100%的产率得到8-allyloxy-5-fluoro-6-(2-fluoro-5-methoxybenzoyl)-2,2-dimethylchromene
  参考文献：
  名称：

  Xanthone Natural Products via N-Heterocyclic Carbene Catalysis: Total Synthesis of Atroviridin

  摘要：

  The total synthesis of atroviridin has been accomplished by a linear route involving the N-heterocyclic carbene (NHC)-catalyzed aroylation of the fluorobenzene derivative, Claisen cyclization of the O-propargylated benzo-phenones, and intramolecular 1,4-addition of the quinone intermediates. The result provides a viable route to xanthone natural products.

  DOI：

  10.1021/jo200303c
• 作为产物：
  描述：

  2,4,5-三氟硝基苯 在 sodium hydride 、 1,3-二甲基咪唑 碘 、 potassium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 苯甲醛肟 、 copper dichloride 作用下， 以 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 3.0h， 生成 5-allyloxy-2,2'-difluoro-4-(1,1-dimethylpropargyloxy)-5'-methoxybenzophenone
  参考文献：
  名称：

  Xanthone Natural Products via N-Heterocyclic Carbene Catalysis: Total Synthesis of Atroviridin

  摘要：

  The total synthesis of atroviridin has been accomplished by a linear route involving the N-heterocyclic carbene (NHC)-catalyzed aroylation of the fluorobenzene derivative, Claisen cyclization of the O-propargylated benzo-phenones, and intramolecular 1,4-addition of the quinone intermediates. The result provides a viable route to xanthone natural products.

  DOI：

  10.1021/jo200303c

文献信息

• Xanthone Natural Products via <i>N</i>-Heterocyclic Carbene Catalysis: Total Synthesis of Atroviridin
  作者：Yumiko Suzuki、Yoshinori Fukuta、Shinya Ota、Masayo Kamiya、Masayuki Sato

  DOI：10.1021/jo200303c

  日期：2011.5.20

  The total synthesis of atroviridin has been accomplished by a linear route involving the N-heterocyclic carbene (NHC)-catalyzed aroylation of the fluorobenzene derivative, Claisen cyclization of the O-propargylated benzo-phenones, and intramolecular 1,4-addition of the quinone intermediates. The result provides a viable route to xanthone natural products.