9-Isopropoxy-2,2-dimethyl-2H-benzo[4,5]furo[3,2-c]pyrano[2,3-h]chromen-6-one | 238736-98-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 9-Isopropoxy-2,2-dimethyl-2H-benzo[4,5]furo[3,2-c]pyrano[2,3-h]chromen-6-one
• CAS: 238736-98-6
• 化学式: C₂₃H₂₀O₅
• 分子量: 376.409
• InChiKey: GDWQWDWNGMDLKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.66
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  61.81
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  9-Isopropoxy-2,2-dimethyl-2H-benzo[4,5]furo[3,2-c]pyrano[2,3-h]chromen-6-one 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以50%的产率得到plicadin
  参考文献：
  名称：

  Directed Metalation Linked to Transition Metal Catalyzed Cascade Reactions: Two Total Syntheses of Plicadin, the Alleged Coumestan fromPsoralea plicata

  摘要：

  The oxygen-rich heterocyclic compound 1-which was proposed to be the structure of plicadin, the alleged naturally occurring coumestan from the herb Psoralea plicata-was synthesized by the rational combinations of directed ortho and remote metalation reactions with cascades of Negishi, Sonogashira, Castro-Stephens, and carbamoyl Baker-Venkataraman reactions.

  DOI：

  10.1002/(sici)1521-3773(19990517)38:10<1435::aid-anie1435>3.0.co;2-b
• 作为产物：
  描述：

  [2,2-dimethyl-6-(6-propan-2-yloxy-1-benzofuran-2-yl)chromen-5-yl] N,N-diethylcarbamate 在 lithium diisopropyl amide 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 0.42h， 以84%的产率得到9-Isopropoxy-2,2-dimethyl-2H-benzo[4,5]furo[3,2-c]pyrano[2,3-h]chromen-6-one
  参考文献：
  名称：

  Directed Metalation Linked to Transition Metal Catalyzed Cascade Reactions: Two Total Syntheses of Plicadin, the Alleged Coumestan fromPsoralea plicata

  摘要：

  The oxygen-rich heterocyclic compound 1-which was proposed to be the structure of plicadin, the alleged naturally occurring coumestan from the herb Psoralea plicata-was synthesized by the rational combinations of directed ortho and remote metalation reactions with cascades of Negishi, Sonogashira, Castro-Stephens, and carbamoyl Baker-Venkataraman reactions.

  DOI：

  10.1002/(sici)1521-3773(19990517)38:10<1435::aid-anie1435>3.0.co;2-b