1-O-ethyl 4-O-methyl 10-oxo-4aH-pyrano[4,3-b]chromene-1,4-dicarboxylate | 1305337-87-4

• 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: 1-O-ethyl 4-O-methyl 10-oxo-4aH-pyrano[4,3-b]chromene-1,4-dicarboxylate
• CAS: 1305337-87-4
• 化学式: C₁₇H₁₄O₇
• 分子量: 330.294
• InChiKey: XGONSXFCSRGRFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-O-ethyl 4-O-methyl 10-oxo-4aH-pyrano[4,3-b]chromene-1,4-dicarboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 以35%的产率得到ethyl (Z)-3-(2-formyl-3-methoxy-3-oxoprop-1-en-1-yl)-4-oxo-4H-chromene-2-carboxylate
  参考文献：
  名称：

  Synthesis of novel electron-deficient chromone-fused dienes via phosphine catalyzed [4+2] annulation

  摘要：

  alpha-Chromonyl ketoesters undergo phosphine catalyzed [4+2]-annulation reactions with acetylene carboxylates to yield tricyclic benzopyrones in good yields. Under mild acidic conditions, the tricyclic benzopyrones rearrange to provide highly substituted and electron-poor chromone-fused dienes in good yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.151
• 作为产物：
  描述：

  3-Ethoxalylchromone 、 丙炔酸甲酯 在 三苯基膦 作用下， 以 甲苯 为溶剂， 以69%的产率得到1-O-ethyl 4-O-methyl 10-oxo-4aH-pyrano[4,3-b]chromene-1,4-dicarboxylate
  参考文献：
  名称：

  Synthesis of novel electron-deficient chromone-fused dienes via phosphine catalyzed [4+2] annulation

  摘要：

  alpha-Chromonyl ketoesters undergo phosphine catalyzed [4+2]-annulation reactions with acetylene carboxylates to yield tricyclic benzopyrones in good yields. Under mild acidic conditions, the tricyclic benzopyrones rearrange to provide highly substituted and electron-poor chromone-fused dienes in good yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.151

文献信息

• Synthesis of novel electron-deficient chromone-fused dienes via phosphine catalyzed [4+2] annulation
  作者：Herbert Waldmann、Hanna Bruss、Heiko Dückert、Kamal Kumar

  DOI：10.1016/j.tetlet.2011.01.151

  日期：2011.4

  alpha-Chromonyl ketoesters undergo phosphine catalyzed [4+2]-annulation reactions with acetylene carboxylates to yield tricyclic benzopyrones in good yields. Under mild acidic conditions, the tricyclic benzopyrones rearrange to provide highly substituted and electron-poor chromone-fused dienes in good yields. (C) 2011 Elsevier Ltd. All rights reserved.