1-Amino-N-(2-chlorophenyl)-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-thieno[2,3-B]thiopyrano[4,3-D]pyridine-2-carboxamide | 500272-49-1

• 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-N-(2-chlorophenyl)-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-thieno[2,3-B]thiopyrano[4,3-D]pyridine-2-carboxamide
• 英文别名: 3-amino-N-(2-chlorophenyl)-12,12-dimethyl-8-morpholin-4-yl-5,11-dithia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxamide
• CAS: 500272-49-1
• 化学式: C₂₃H₂₅ClN₄O₂S₂
• mdl: MFCD03302858
• 分子量: 489.062
• InChiKey: HIJXENDETQMVRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 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：
  134
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-Amino-N-(2-chlorophenyl)-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-thieno[2,3-B]thiopyrano[4,3-D]pyridine-2-carboxamide 、 原甲酸三乙酯 以 乙酸酐 为溶剂， 以97%的产率得到9-(2-Chlorophenyl)-2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-D]pyrimidin-8(9H)-one
  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：

  N1-(2-氯苯基)-2-氯乙酰胺 、 3,3-dimethyl-8-morpholin-4-yl-6-sulfanylidene-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以80%的产率得到1-Amino-N-(2-chlorophenyl)-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-thieno[2,3-B]thiopyrano[4,3-D]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.