3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano<4,3-e>thieno<2,3-b>pyridine-2-carboxylic acid | 166545-84-2

• 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: 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano<4,3-e>thieno<2,3-b>pyridine-2-carboxylic acid
• 英文别名: 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylic acid；6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxylic acid
• CAS: 166545-84-2
• 化学式: C₁₃H₁₄N₂O₃S
• mdl: MFCD01563394
• 分子量: 278.332
• InChiKey: DNGPWAMYDLWYIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano<4,3-e>thieno<2,3-b>pyridine-2-carboxylic acid 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 生成 5,5,13,14-Tetramethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-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
• 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， 以89%的产率得到3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano<4,3-e>thieno<2,3-b>pyridine-2-carboxylic acid
  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 dihydro-10H-pyrano[3?,4?: 5,6]pyrido[3,2:4?,5?]-thieno[3?,2?-d][3,1]oxazines and pyrimidines
  作者：V. V. Dabaeva、A. S. Noravyan、B. D. Enokyan

  DOI：10.1007/bf01169683

  日期：1995.2
• WO2024097972A2
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.