3-[Bis(diethylamino)phosphanyloxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one | 607394-65-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3-[Bis(diethylamino)phosphanyloxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
• 英文别名: 3-[bis(diethylamino)phosphanyloxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
• CAS: 607394-65-0
• 化学式: C₂₇H₃₉N₂O₇P
• 分子量: 534.59
• InChiKey: AAXMMCFXTIGBIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-[Bis(diethylamino)phosphanyloxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one 在 sulfur 作用下， 以80%的产率得到Bis(diethylamino)-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-sulfidophosphanium
  参考文献：
  名称：

  Sterically controlled cyclization of 3′,4′,5,7-tetramethyldihydroquercetin amidophosphites. New synthesis of phostones

  摘要：

  A new sterically controlled reaction of alpha-hydroxyketones with phosphorus acid triamides resulting in new four-membered phostones is reported. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0040-4039(03)01485-0
• 作为产物：
  描述：

  3-hydroxy-5,7-dimethoxy-2-(3,4-dimethoxyphenyl)chroman-4-one 、 六乙基亚磷酸胺 以 苯 为溶剂， 反应 0.5h， 生成 3-[Bis(diethylamino)phosphanyloxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
  参考文献：
  名称：

  Sterically controlled cyclization of 3′,4′,5,7-tetramethyldihydroquercetin amidophosphites. New synthesis of phostones

  摘要：

  A new sterically controlled reaction of alpha-hydroxyketones with phosphorus acid triamides resulting in new four-membered phostones is reported. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0040-4039(03)01485-0

文献信息

• Sterically controlled cyclization of 3′,4′,5,7-tetramethyldihydroquercetin amidophosphites. New synthesis of phostones
  作者：E.E Nifantyev、M.P Koroteev、G.Z Kaziev、I.S Zakharova、K.A Lyssenko、L.N Kuleshova、M.Yu Antipin

  DOI：10.1016/s0040-4039(03)01485-0

  日期：2003.8

  A new sterically controlled reaction of alpha-hydroxyketones with phosphorus acid triamides resulting in new four-membered phostones is reported. (C) 2003 Published by Elsevier Ltd.