5,7-Dimethoxy-3-[4-methoxy-3,5-di(propan-2-yl)phenyl]chromen-4-one | 1225387-52-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 5,7-Dimethoxy-3-[4-methoxy-3,5-di(propan-2-yl)phenyl]chromen-4-one
• 英文别名: 5,7-dimethoxy-3-[4-methoxy-3,5-di(propan-2-yl)phenyl]chromen-4-one
• CAS: 1225387-52-9
• 化学式: C₂₄H₂₈O₅
• 分子量: 396.483
• InChiKey: IMBUVIFZUZUGKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  脒基硫脲 、 5,7-Dimethoxy-3-[4-methoxy-3,5-di(propan-2-yl)phenyl]chromen-4-one 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.5h， 以74%的产率得到1-{4-(2-hydroxy-4,6-dimethoxyphenyl)-5-[4-methoxy-3,5-bis(1-methylethyl)phenyl]pyrimidin-2-yl}thiourea
  参考文献：
  名称：

  One-Step Synthesis of 1-(4,5-Diphenylpyrimidin-2-yl)thiourea

  摘要：

  AbstractA simple and straightforward methodology toward the synthesis of novel 1‐(4,5‐diphenylpyrimidin‐2‐yl)thiourea has been developed by a one‐step reaction of isoflavones with amidinothiourea. A series of 16 new compounds was synthesized. All compounds were characterized by FT‐IR, NMR, and elemental analysis. The structure of a typical compound was established by X‐ray diffraction. A variety of substrates can participate in the process with good yields and high purities, making this methodology suitable for library synthesis in drug discovery.

  DOI：

  10.1002/hlca.200900438

文献信息

• An efficient one-pot synthesis of diarylpyrazolo[1,5-a]pyrimidine from isoflavones
  作者：Zun-Ting Zhang、Yu-Qing Ma、Yong Liang、Dong Xue、Qing He

  DOI：10.1002/jhet.546

  日期：2011.3

  Direct synthetic methods of 6,7‐diphenylpyrazolo[1,5‐a]pyrimidine derivatives have been developed. Cyclocondensation of isoflavones with 3‐aminopyrazole in the presence of sodium methoxide as alkali promoter gave 6,7‐diphenylpyrazolo[1,5‐a]pyrimidines in moderate to good yields. J. Heterocyclic Chem., (2011).

  已经开发了直接合成6,7-二苯基吡唑并[1,5- a ]嘧啶衍生物的方法。在甲醇钠作为碱促进剂的情况下，异黄酮与3-氨基吡唑的环缩合反应可中等至良好收率，得到6,7-二苯基吡唑并[1,5- a ]嘧啶。J.杂环化​​学。（2011）。
• One-Step Synthesis of Diarylpyrazolo[3,4-<i>b</i>]pyridines from Isoflavones
  作者：Zun-Ting Zhang、Yong Liang、Yu-Qing Ma、Dong Xue、Jun-Ling Yang

  DOI：10.1021/cc1000506

  日期：2010.7.12

  A new concise, facile, and efficient method for the synthesis of 3-hydroxy-5,6-diphenylpyrazolo[3,4-b]pyridine derivatives has been described. The cyclocondensation of isoflavones with 3-amino-5-hydroxypyrazole in the presence of sodium methoxide gave fused heteroaromatic 3-hydroxy-5,6-diphenylpyrazolo[3,4-b]pyridines in moderate to good yields.

  已经描述了一种合成3-羟基-5，6-二苯基吡唑并[3，4- b ]吡啶衍生物的简洁，简便而有效的新方法。在甲醇钠存在下，异黄酮与3-氨基-5-羟基吡唑的环缩合反应以中等至良好的产率得到了稠合的杂芳族3-羟基-5,6-二苯基吡唑并[3,4- b ]吡啶。
• One-Step Synthesis of 1-(4,5-Diphenylpyrimidin-2-yl)thiourea
  作者：Wen-Yong Han、Zun-Ting Zhang、Ying-Chun Zhang、Dong Xue、Gang Li

  DOI：10.1002/hlca.200900438

  日期：——

  AbstractA simple and straightforward methodology toward the synthesis of novel 1‐(4,5‐diphenylpyrimidin‐2‐yl)thiourea has been developed by a one‐step reaction of isoflavones with amidinothiourea. A series of 16 new compounds was synthesized. All compounds were characterized by FT‐IR, NMR, and elemental analysis. The structure of a typical compound was established by X‐ray diffraction. A variety of substrates can participate in the process with good yields and high purities, making this methodology suitable for library synthesis in drug discovery.