1-amino-8,8-dimethyl-N-phenyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide | 900884-29-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-amino-8,8-dimethyl-N-phenyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
• 英文别名: 3-amino-12,12-dimethyl-N-phenyl-8-pyrrolidin-1-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxamide
• CAS: 900884-29-9
• 化学式: C₂₃H₂₆N₄O₂S
• 分子量: 422.551
• InChiKey: UBBHQNULKMIQQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-amino-8,8-dimethyl-N-phenyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide 、 原甲酸三乙酯 以 乙酸酐 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Synthesis of 2,3-disubstituted derivatives of pyrano-, thiopyrano-, and benzoannelated pyrido[2,3-b]thieno[3,2-d]pyrimidines

  摘要：

  A new methods have been developed for the synthesis of condensed pyrido[2,3-b]thieno[3,2-d]pyrimidines based on cyclic derivatives of 4-cyanopyridine-3-thiones. The presence of two different reactive functional groups NH2 and CONH gives the possibility of carrying out different conversions of thieno[2,3-b]pyridines.

  DOI：

  10.1007/s10593-008-0145-y
• 作为产物：
  描述：

  2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)-N-phenylacetamide 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以79%的产率得到1-amino-8,8-dimethyl-N-phenyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
  参考文献：
  名称：

  Synthesis of 2,3-disubstituted derivatives of pyrano-, thiopyrano-, and benzoannelated pyrido[2,3-b]thieno[3,2-d]pyrimidines

  摘要：

  A new methods have been developed for the synthesis of condensed pyrido[2,3-b]thieno[3,2-d]pyrimidines based on cyclic derivatives of 4-cyanopyridine-3-thiones. The presence of two different reactive functional groups NH2 and CONH gives the possibility of carrying out different conversions of thieno[2,3-b]pyridines.

  DOI：

  10.1007/s10593-008-0145-y

文献信息

• Synthesis of 2,3-disubstituted derivatives of pyrano-, thiopyrano-, and benzoannelated pyrido[2,3-b]thieno[3,2-d]pyrimidines
  作者：E. G. Paronikian、Sh. F. Akopian、A. S. Noravian

  DOI：10.1007/s10593-008-0145-y

  日期：2008.8

  A new methods have been developed for the synthesis of condensed pyrido[2,3-b]thieno[3,2-d]pyrimidines based on cyclic derivatives of 4-cyanopyridine-3-thiones. The presence of two different reactive functional groups NH2 and CONH gives the possibility of carrying out different conversions of thieno[2,3-b]pyridines.