6-chloro-3,3-bis(6-chloro-4-oxochromen-3-ylmethyl)chroman-4-one | 1444452-31-6

• 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: 6-chloro-3,3-bis(6-chloro-4-oxochromen-3-ylmethyl)chroman-4-one
• 英文别名: 6-chloro-3-[[6-chloro-3-[(6-chloro-4-oxochromen-3-yl)methyl]-4-oxo-2H-chromen-3-yl]methyl]chromen-4-one
• CAS: 1444452-31-6
• 化学式: C₂₉H₁₇Cl₃O₆
• 分子量: 567.809
• InChiKey: WQABWTGMDZHPCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-chloro-3-hydroxymethylchromone 在 caesium carbonate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 21.0h， 以58%的产率得到6-chloro-3,3-bis(6-chloro-4-oxochromen-3-ylmethyl)chroman-4-one
  参考文献：
  名称：

  Novel Synthesis of 3,3-Bis-(4-chromone-3-ylmethyl)-chroman-4-ones

  摘要：

  3-Hydroxymethylchromones have been found to undergo a novel transformation in the presence of Cs2CO3 in toluene or xylene as solvent to afford trimeric chromones, 3,3-bis-(4-chromone-3-ylmethyl)-chroman-4-ones. The structure of the trimer has also been confirmed by single-crystal x-ray diffraction study. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.691594

文献信息

• Novel Synthesis of 3,3-Bis-(4-chromone-3-ylmethyl)-chroman-4-ones
  作者：Krishnan Devarajan、Kalpattu K. Balasubramanian、Shanmugasundaram Bhagavathy

  DOI：10.1080/00397911.2012.691594

  日期：2013.8.18

  3-Hydroxymethylchromones have been found to undergo a novel transformation in the presence of Cs2CO3 in toluene or xylene as solvent to afford trimeric chromones, 3,3-bis-(4-chromone-3-ylmethyl)-chroman-4-ones. The structure of the trimer has also been confirmed by single-crystal x-ray diffraction study. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.