2-propyl-8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3",4":5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]-oxazin-4-one | 708291-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃吡啶类
• 英文名称: 2-propyl-8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3",4":5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]-oxazin-4-one
• 英文别名: 8,8-dimethyl-2-propyl-7,10-dihydro-4H,8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one；5,5-dimethyl-13-propyl-6,14-dioxa-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
• CAS: 708291-49-0
• 化学式: C₁₇H₁₈N₂O₃S
• 分子量: 330.408
• InChiKey: MSVLYHIWQJLERP-UHFFFAOYSA-N

物化性质

• 熔点：
  202-204 °C(Solv: ethanol (64-17-5))
• 沸点：
  514.3±60.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)
• 溶解度：
  24.1 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  89
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-propyl-8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3",4":5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]-oxazin-4-one 、 非那明 以 1,4-二氧六环 、 水 为溶剂， 反应 3.0h， 以64%的产率得到6-(butanoylamino)-12,12-dimethyl-N-(1-phenylpropan-2-yl)-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide
  参考文献：
  名称：

  Synthesis of new condensed derivatives of pyrano[4,3-b]thieno[3,2-e]pyridine and pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

  摘要：

  The reactions of 2-methyl (propyl) substituted 8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3 '',4 '':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazines with primary amines give 2-methyl (propyl) substituted 8,8-dimethyl-7,10-dihydro-8H-pyrano[3 '',4 '':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]pyrimidin-4(3H)-ones or 3-acetyl-N-alkyl- and N-alkyl-3-butyrylamino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamides depending on steric hindrance in the amines.

  DOI：

  10.1007/s10593-011-0810-4
• 作为产物：
  描述：

  ethyl 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2 carboxylate 在 水 、 sodium hydroxide 作用下， 反应 4.0h， 生成 2-propyl-8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3",4":5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]-oxazin-4-one
  参考文献：
  名称：

  Synthesis of new condensed derivatives of pyrano[4,3-b]thieno[3,2-e]pyridine and pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

  摘要：

  The reactions of 2-methyl (propyl) substituted 8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3 '',4 '':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazines with primary amines give 2-methyl (propyl) substituted 8,8-dimethyl-7,10-dihydro-8H-pyrano[3 '',4 '':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]pyrimidin-4(3H)-ones or 3-acetyl-N-alkyl- and N-alkyl-3-butyrylamino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamides depending on steric hindrance in the amines.

  DOI：

  10.1007/s10593-011-0810-4

文献信息

• Synthesis of new condensed derivatives of pyrano[4,3-b]thieno[3,2-e]pyridine and pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
  作者：V. V. Dabaeva、M. R. Bagdasaryan、A. S. Noravyan

  DOI：10.1007/s10593-011-0810-4

  日期：2011.8

  The reactions of 2-methyl (propyl) substituted 8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3 '',4 '':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazines with primary amines give 2-methyl (propyl) substituted 8,8-dimethyl-7,10-dihydro-8H-pyrano[3 '',4 '':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]pyrimidin-4(3H)-ones or 3-acetyl-N-alkyl- and N-alkyl-3-butyrylamino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamides depending on steric hindrance in the amines.