1,3-dioxo-1-(5-hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(2',4'-dimethoxy-phenyl)-propane | 128031-07-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,3-dioxo-1-(5-hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(2',4'-dimethoxy-phenyl)-propane
• 英文别名: 1-(2,4-dimethoxyphenyl)-3-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)-propane-1,3-dione；1-(2,4-Dimethoxyphenyl)-3-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)propane-1,3-dione
• CAS: 128031-07-2
• 化学式: C₂₃H₂₄O₇
• 分子量: 412.439
• InChiKey: YFGLREQRTHTCSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,3-dioxo-1-(5-hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(2',4'-dimethoxy-phenyl)-propane 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 3.0h， 以73%的产率得到8,8-dimethyl-5-methoxy-2-(2',4'-dimethoxyphenyl)-4H,8H-benzo<1,2-b:3,4-b'>dipyran-4-one
  参考文献：
  名称：

  Banerji; Luthria, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 2, p. 163 - 165

  摘要：

  DOI：
• 作为产物：
  描述：

  isoevodionol 、 2,4-二甲氧基苯甲酰氯 在 lithium diisopropyl amide 作用下， 以94%的产率得到1,3-dioxo-1-(5-hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(2',4'-dimethoxy-phenyl)-propane
  参考文献：
  名称：

  The synthesis of morusin as a potent antitumor agent

  摘要：

  Morusin. which call be isolated from Chinese herbal medicine. is achieved in which the longest linear sequence is only 13 steps in 12% overall yield from commercially available phloroglucinol In addition, the metal/EtSH reagents for regioselective demethylation of polymethylated morusin were described Consequently this strategy provided a concise route 10 synthesize the morusin analogues as well Further biological studies of morusin. it exhibited strong antitumor effects with IC(50) similar to 3 0 mu M oil three cancel cells (C) 2009 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2009.12.002

文献信息

• BANERJI, A.;LUTHRIA, D. L., INDIAN J. CHEM. B, 29,(1990) N, C. 163-165
  作者：BANERJI, A.、LUTHRIA, D. L.

  DOI：——

  日期：——
• Banerji; Luthria, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 2, p. 163 - 165
  作者：Banerji、Luthria

  DOI：——

  日期：——
• The synthesis of morusin as a potent antitumor agent
  作者：Tsui-Hwa Tseng、Shien-Kai Chuang、Chao-Chin Hu、Chia-Fu Chang、Yu-Chao Huang、Cheng-Wei Lin、Yean-Jang Lee

  DOI：10.1016/j.tet.2009.12.002

  日期：2010.2

  Morusin. which call be isolated from Chinese herbal medicine. is achieved in which the longest linear sequence is only 13 steps in 12% overall yield from commercially available phloroglucinol In addition, the metal/EtSH reagents for regioselective demethylation of polymethylated morusin were described Consequently this strategy provided a concise route 10 synthesize the morusin analogues as well Further biological studies of morusin. it exhibited strong antitumor effects with IC(50) similar to 3 0 mu M oil three cancel cells (C) 2009 Elsevier Ltd All rights reserved