(4-formyl-1H-imidazol-1-yl)methyl pivalate | 868776-06-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4-formyl-1H-imidazol-1-yl)methyl pivalate
• 英文别名: (4-formylimidazol-1-yl)methyl 2,2-dimethylpropanoate
• CAS: 868776-06-1
• 化学式: C₁₀H₁₄N₂O₃
• 分子量: 210.233
• InChiKey: SHVPYDDXNRMECJ-UHFFFAOYSA-N

物化性质

• 沸点：
  370.9±22.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  特戊酸氯甲酯 在 sodium hydride 作用下， 以 四氢呋喃 、 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 2.0h， 以98%的产率得到(4-formyl-1H-imidazol-1-yl)methyl pivalate
  参考文献：
  名称：

  [EN] FUSED QUINOLINE DERIVATIVE AND USE THEREOF
  [FR] DÉRIVÉ DE QUINOLINE FUSIONNÉE ET UTILISATION DE CELUI-CI

  摘要：

  本发明旨在提供一种具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，并涉及一种由式（I）表示的化合物，其中R1是氢原子等；R2是氢原子，可选地具有取代基的碳氢基团等；R3是未取代的（即缺失），氢原子等；R4和R5相同或不同，每个是氢原子，可选地具有取代基的碳氢基团等；R6是（环状基团，可选地具有取代基）-羰基等；R7、R8、R9和R10相同或不同，每个是氢原子，卤素等；或R7和R8、R8和R9、以及R9和R10可以与相邻的碳原子一起形成环；n是1到5的整数；---表示未取代的（即缺失）或单键；---表示单键或双键，或其盐等。

  公开号：

  WO2005105802A1

文献信息

• Fused Quinoline Derivative and Use Thereof
  申请人：Kajino Masahiro

  公开号：US20080039452A1

  公开（公告）日：2008-02-14

  The present invention aims at provision of a quinoline derivative having a neurokinin 2 (NK2) receptor antagonistic action and relates to a compound represented by the formula (I) wherein R 1 is a hydrogen atom and the like; R 2 is a hydrogen atom, a hydrocarbon group optionally having substituent(s) and the like; R 3 is unsubstituted (i.e., absence), a hydrogen atom and the like; R 4 and R 5 are the same or different and each is a hydrogen atom, a hydrocarbon group optionally having substituent(s), and the like; R 6 is (cyclic group optionally having substituent(s))-carbonyl, and the like; R 7 , R 8 , R 9 and R 10 are the same or different and each is a hydrogen atom, halogen and the like; or R 7 and R 8 , R 8 and R 9 , and R 9 and R 10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; --- represents unsubstituted (i.e., absence) or a single bond; and represents a single bond or a double bond, or a salt thereof, and the like.

  本发明旨在提供一种具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，涉及一种由式（I）表示的化合物，其中R1为氢原子等；R2为氢原子、烃基可选地具有取代基等；R3为未取代（即不存在）、氢原子等；R4和R5相同或不同，每个都是氢原子、烃基可选地具有取代基等；R6为（环状基团可选地具有取代基）-羰基等；R7、R8、R9和R10相同或不同，每个都是氢原子、卤素等；或R7和R8、R8和R9以及R9和R10可以与相邻的碳原子一起形成环；n为1到5的整数；---表示未取代（即不存在）或单键；表示单键或双键，或其盐等。
• FUSED QUINOLINE DERIVATIVE AND USE THEREOF
  申请人：Kajino Masahiro

  公开号：US20090258893A1

  公开（公告）日：2009-10-15

  The present invention aims at provision of a quinoline derivative having a neurokinin 2 (NK2) receptor antagonistic action and relates to a compound represented by the formula (I) wherein R 1 is a hydrogen atom and the like; R 2 is a hydrogen atom, a hydrocarbon group optionally having substituent(s) and the like; R 3 is unsubstituted (i.e., absence), a hydrogen atom and the like; R 4 and R 5 are the same or different and each is a hydrogen atom, a hydrocarbon group optionally having substituent(s), and the like; R 6 is (cyclic group optionally having substituent(s))-carbonyl, and the like; R 7 , R 8 , R 9 and R 10 are the same or different and each is a hydrogen atom, halogen and the like; or R 7 and R 8 , R 8 and R 9 , and R 9 and R 10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; represents unsubstituted (i.e., absence) or a single bond; and represents a single bond or a double bond, or a salt thereof, and the like.

  本发明旨在提供具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，并涉及由式（I）表示的化合物，其中R1是氢原子等；R2是氢原子、烃基（可选取取代基等）等；R3是未取代（即不存在）、氢原子等；R4和R5相同或不同，且每个都是氢原子、烃基（可选取取代基等）等；R6是（环状基团可选取取代基等）-羰基等；R7、R8、R9和R10相同或不同，且每个都是氢原子、卤素等；或R7和R8、R8和R9、以及R9和R10可以与相邻的碳原子一起形成环；n是1到5的整数；表示未取代（即不存在）或单键；和表示单键或双键，或其盐等。
• Fused quinoline derivative and use thereof
  申请人：Takeda Pharmaceutical Company Ltd.

  公开号：US07973163B2

  公开（公告）日：2011-07-05

  The present invention aims at provision of a quinoline derivative having a neurokinin 2 (NK2) receptor antagonistic action and relates to a compound represented by the formula (I) wherein R1 is a hydrogen atom and the like; R2 is a hydrogen atom, a hydrocarbon group optionally having substituent(s) and the like; R3 is unsubstituted (i.e., absence), a hydrogen atom and the like; R4 and R5 are the same or different and each is a hydrogen atom, a hydrocarbon group optionally having substituent(s), and the like; R6 is (cyclic group optionally having substituent(s))-carbonyl, and the like; R7, R8, R9 and R10 are the same or different and each is a hydrogen atom, halogen and the like; or R7 and R8, R8 and R9, and R9 and R10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; --- represents unsubstituted (i.e., absence) or a single bond; and represents a single bond or a double bond, or a salt thereof, and the like.

  本发明旨在提供一种具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，并涉及一种由式（I）表示的化合物，其中R1是氢原子等；R2是氢原子、烃基可选地具有取代基等；R3是未取代的（即不存在）、氢原子等；R4和R5相同或不同，每个都是氢原子、烃基可选地具有取代基等；R6是（环状基团可选地具有取代基）-羰基等；R7、R8、R9和R10相同或不同，每个都是氢原子、卤素等；或R7和R8、R8和R9、R9和R10可以与相邻的碳原子一起形成环；n是1到5的整数；---表示未取代（即不存在）或单键；表示单键或双键，或其盐等。
• US7592453B2
  申请人：——

  公开号：US7592453B2

  公开（公告）日：2009-09-22
• US7973163B2
  申请人：——

  公开号：US7973163B2

  公开（公告）日：2011-07-05