Ethyl 7-(N-(N,N-dipropylcarbamoylmethyl)-N-methylamino)thieno[3,2-b]pyridine-6-carboxylate | 156566-36-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Ethyl 7-(N-(N,N-dipropylcarbamoylmethyl)-N-methylamino)thieno[3,2-b]pyridine-6-carboxylate
• 英文别名: Ethyl 7-[[2-(dipropylamino)-2-oxoethyl]-methylamino]thieno[3,2-b]pyridine-6-carboxylate
• CAS: 156566-36-8
• 化学式: C₁₉H₂₇N₃O₃S
• 分子量: 377.508
• InChiKey: RKZGGIIIMLTFDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  91
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N-dipropyl-2-(methyl-amino)acetamide 、 7-氯噻吩并[3,2-b]吡啶-6-羧酸 、 ethyl 7-hydroxythieno<3,2-b>pyridine-6-carboxylate 在 三乙胺 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 生成 Ethyl 7-(N-(N,N-dipropylcarbamoylmethyl)-N-methylamino)thieno[3,2-b]pyridine-6-carboxylate
  参考文献：
  名称：

  Substituted thienyl- or pyrrolylcarboxyclic acid derivatives, their

  摘要：

  式为##STR1##的化合物，其中R.sub.1代表OH，(C.sub.1-C.sub.12)烷基，(C.sub.1-C.sub.12)烷氧基，苄氧基，苯甲基，苯基，(C.sub.1-C.sub.4)烷基NZ.sub.1 Z.sub.2或NZ.sub.1 Z.sub.2; R.sub.2代表OH，SH，(C.sub.1-C.sub.4)烷氧基，(C.sub.1-C.sub.4)烷基硫醚或NZ.sub.1 Z.sub.2; R.sub.3代表H，(C.sub.1-C.sub.4)烷基，(C.sub.1-C.sub.4)烷基硫醚，(C.sub.1-C.sub.4)烷氧基，苯基或苄基; A代表N，R代表H或(C.sub.1-C.sub.4)烷基，可以被苯基或NZ.sub.1 Z.sub.2取代; B代表与吡啶环相偶联的苯基，可以选择性地被一个或多个来自卤素，(C.sub.1-C.sub.6)烷基，(C.sub.1-C.sub.6)烷氧基，CF.sub.3，CH.sub.2NZ.sub.1 Z.sub.2或NZ.sub.1 Z.sub.2的基团取代; Z.sub.1和Z.sub.2分别独立地代表H，(C.sub.1-C.sub.6)烷基，甲酰基或苯甲基，或者它们与它们所连接的氮原子形成一个可以选择性地被取代的饱和杂环，以及它们的盐。

  公开号：

  US05360799A1

文献信息

• US5360799A
  申请人：——

  公开号：US5360799A

  公开（公告）日：1994-11-01
• US5468750A
  申请人：——

  公开号：US5468750A

  公开（公告）日：1995-11-21
• Substituted thienyl- or pyrrolylcarboxyclic acid derivatives, their
  申请人：Elf Sanofi

  公开号：US05360799A1

  公开（公告）日：1994-11-01

  Compounds of formula ##STR1## in which R.sub.1 represents OH, (C.sub.1 -C.sub.12)alkyl, (C.sub.1 -C.sub.12)alkoxy, benzyloxy, benzyl, phenyl, (C.sub.1 -C.sub.4)alkylNZ.sub.1 Z.sub.2 or NZ.sub.1 Z.sub.2 ; R.sub.2 represents OH, SH, (C.sub.1 -C.sub.4)alkoxy, (C.sub.1 -C.sub.4)alkylthio or NZ.sub.1 Z.sub.2 ; R.sub.3 represents H, (C.sub.1 -C.sub.4)alkyl, (C.sub.1 -C.sub.4)alkylthio, (C.sub.1 -C.sub.4)alkoxy, phenyl or benzyl; A represents N and R represents H or (C.sub.1 -C.sub.4)alkyl which can be substituted by phenyl or NZ.sub.1 Z.sub.2 ; B represents phenyl which is coupled to the pyridyl ring and is optionally substituted by one or more groups chosen from halo, (C.sub.1 -C.sub.6)alkyl, (C.sub.1 -C.sub.6)alkoxy, CF.sub.3, CH.sub.2 NZ.sub.1 Z.sub.2 or NZ.sub.1 Z.sub.2 ; and Z.sub.1 and Z.sub.2 represent, independently of each other, H, (C.sub.1 -C.sub.6) alkyl, formyl or benzyl, or they form with the nitrogen atom to which they are attached an optionally substituted saturated heterocycle and their salts.

  式为##STR1##的化合物，其中R.sub.1代表OH，(C.sub.1-C.sub.12)烷基，(C.sub.1-C.sub.12)烷氧基，苄氧基，苯甲基，苯基，(C.sub.1-C.sub.4)烷基NZ.sub.1 Z.sub.2或NZ.sub.1 Z.sub.2; R.sub.2代表OH，SH，(C.sub.1-C.sub.4)烷氧基，(C.sub.1-C.sub.4)烷基硫醚或NZ.sub.1 Z.sub.2; R.sub.3代表H，(C.sub.1-C.sub.4)烷基，(C.sub.1-C.sub.4)烷基硫醚，(C.sub.1-C.sub.4)烷氧基，苯基或苄基; A代表N，R代表H或(C.sub.1-C.sub.4)烷基，可以被苯基或NZ.sub.1 Z.sub.2取代; B代表与吡啶环相偶联的苯基，可以选择性地被一个或多个来自卤素，(C.sub.1-C.sub.6)烷基，(C.sub.1-C.sub.6)烷氧基，CF.sub.3，CH.sub.2NZ.sub.1 Z.sub.2或NZ.sub.1 Z.sub.2的基团取代; Z.sub.1和Z.sub.2分别独立地代表H，(C.sub.1-C.sub.6)烷基，甲酰基或苯甲基，或者它们与它们所连接的氮原子形成一个可以选择性地被取代的饱和杂环，以及它们的盐。