N-[3'-acetyl-2,2,10-trimethyl-8-oxo-6-phenyl-2,3-dihydro-3'H,8H-spiro[pyrano[3,2-g]chromene-4,2'-[1,3,4]-thiadiazol]-5'-yl]-N-methylacetamide | 1160228-41-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: N-[3'-acetyl-2,2,10-trimethyl-8-oxo-6-phenyl-2,3-dihydro-3'H,8H-spiro[pyrano[3,2-g]chromene-4,2'-[1,3,4]-thiadiazol]-5'-yl]-N-methylacetamide
• CAS: 1160228-41-0
• 化学式: C₂₇H₂₇N₃O₅S
• 分子量: 505.594
• InChiKey: KTMAZWIHIANRFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  36.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92.42
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione 6-(N-methylthiosemicarbazone) 、 乙酸酐 以52%的产率得到N-[3'-acetyl-2,2,10-trimethyl-8-oxo-6-phenyl-2,3-dihydro-3'H,8H-spiro[pyrano[3,2-g]chromene-4,2'-[1,3,4]-thiadiazol]-5'-yl]-N-methylacetamide
  参考文献：
  名称：

  Synthesis and NMR spectroscopy investigations of functionalized 8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-diones and their spirothiadiazole derivatives

  摘要：

  New functionalized derivatives of 8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]-chromene-2,6-dione - analogues of the natural compound graveolone - possessing hydrazine, hydroxylamine, and thiosemicarbazide residues were synthesized and their reactions with acetic anhydride were studied. The structure of the obtained compounds was confirmed by NMR spectroscopy.

  DOI：

  10.1007/s00706-008-0934-0