2-(1-ethoxymethyleneamino)-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile | 1132680-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环七呋喃
• 英文名称: 2-(1-ethoxymethyleneamino)-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
• 英文别名: 2-(1-Ethoxymethyleneamino)-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4h,7h-furo[3',4':6,7]cyclo-hepta[1,2-b]pyran-3-carbonitrile；ethyl N-[12-cyano-11-(4-methoxyphenyl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaen-13-yl]methanimidate
• CAS: 1132680-48-8
• 化学式: C₂₅H₂₂N₂O₅
• 分子量: 430.46
• InChiKey: ZYOYWGRESJELHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  94
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(1-ethoxymethyleneamino)-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile 在 氨 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 8-amino-7-(4-methoxyphenyl)-1,3-dimethyl-4H,7H-furo[3'',4'':3',4']cyclohepta[1',2':5,6]pyrano[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Synthesis of derivatives of the new condensed system 4H,7H-furo[3′,4′:6,7]cyclohepta[1,2-b]pyran

  摘要：

  8-Hydroxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one reacts with arylidenemalononitriles and, like 1,3-oxo enols, forms the corresponding condensed 2-amino-4H-pyrans. The analogous reaction with 3-(dicyanomethylene)indolin-2-ones give spirocyclic 2-amino-4H-pyrans. The 4-aminopyrimidine ring is formed on the basis of the enamino nitrile fragment of the new pyrans by successive reaction with triethoxymethane and then with aqueous ammonia.

  DOI：

  10.1007/s10593-008-0037-1
• 作为产物：
  描述：

  2-amino-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile 、 原甲酸三乙酯 反应 1.5h， 以53%的产率得到2-(1-ethoxymethyleneamino)-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
  参考文献：
  名称：

  Synthesis of derivatives of the new condensed system 4H,7H-furo[3′,4′:6,7]cyclohepta[1,2-b]pyran

  摘要：

  8-Hydroxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one reacts with arylidenemalononitriles and, like 1,3-oxo enols, forms the corresponding condensed 2-amino-4H-pyrans. The analogous reaction with 3-(dicyanomethylene)indolin-2-ones give spirocyclic 2-amino-4H-pyrans. The 4-aminopyrimidine ring is formed on the basis of the enamino nitrile fragment of the new pyrans by successive reaction with triethoxymethane and then with aqueous ammonia.

  DOI：

  10.1007/s10593-008-0037-1