3-(4-Methylphenyl)furo[3,4-b]chromen-9-one | 476000-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(4-Methylphenyl)furo[3,4-b]chromen-9-one
• CAS: 476000-52-9
• 化学式: C₁₈H₁₂O₃
• 分子量: 276.291
• InChiKey: ANGFEOPJNQEQNM-UHFFFAOYSA-N

物化性质

• 沸点：
  466.5±34.0 °C(Predicted)
• 密度：
  1.267±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-Methylphenyl)furo[3,4-b]chromen-9-one 在 盐酸 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 2.0h， 生成 dimethyl 2-(4-methylphenyl)furan-3,4-dicarboxylate
  参考文献：
  名称：

  Synthesis and cycloadditions of 9H-furo[3,4-b][1]benzo(thio)pyran-9-ones: furan ring formation by a novel hydrolytically induced cycloreversion

  摘要：

  C-2 lithiation of acetals 2 followed by trapping with aldehydes gives 3. Subsequent unmasking of the acetal function provides furobenzo(thio)pyrans 4, cycloadditions of which have been investigated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00820-1
• 作为产物：
  描述：

  3-(1,3-Dioxan-2-yl)-4H-chromen-4-one 在 2,2,6,6-tetramethylpiperidinyl-lithium 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 3-(4-Methylphenyl)furo[3,4-b]chromen-9-one
  参考文献：
  名称：

  Synthesis and cycloadditions of 9H-furo[3,4-b][1]benzo(thio)pyran-9-ones: furan ring formation by a novel hydrolytically induced cycloreversion

  摘要：

  C-2 lithiation of acetals 2 followed by trapping with aldehydes gives 3. Subsequent unmasking of the acetal function provides furobenzo(thio)pyrans 4, cycloadditions of which have been investigated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00820-1

文献信息

• Synthesis and cycloadditions of 9H-furo[3,4-b][1]benzo(thio)pyran-9-ones: furan ring formation by a novel hydrolytically induced cycloreversion
  作者：G.Elena Daia、Christopher D. Gabbutt、John D. Hepworth、B.Mark Heron、David E. Hibbs、Michael B. Hursthouse

  DOI：10.1016/s0040-4039(02)00820-1

  日期：2002.6

  C-2 lithiation of acetals 2 followed by trapping with aldehydes gives 3. Subsequent unmasking of the acetal function provides furobenzo(thio)pyrans 4, cycloadditions of which have been investigated. (C) 2002 Elsevier Science Ltd. All rights reserved.