5-(3-methyl-4-nitro-phenyl)-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-8-carboxylic acid | 319907-51-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 5-(3-methyl-4-nitro-phenyl)-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-8-carboxylic acid
• 英文别名: 5-(3-methyl-4-nitrophenyl)-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-8-carboxylic acid
• CAS: 319907-51-2
• 化学式: C₁₈H₁₃N₃O₆
• 分子量: 367.318
• InChiKey: KLMXTONNNLHNPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-(3-methyl-4-nitro-phenyl)-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-8-carboxylic acid 、 N,N'-羰基二咪唑 、 水 在 乙醚 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以Thus 3.21 g of the desired compound are obtained的产率得到5-(3-methyl-4-nitro-phenyl)-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-8-carboxylic acid imidazolide
  参考文献：
  名称：

  2,3-benzodiazepine derivatives

  摘要：

  本发明涉及一种新的2,3-苯二氮平衍生物，其一般式为（I），其中R1代表甲基，甲酰基，羧基，氰基，—CH═NOH，—CH═NNHCONH2或—NR5R6，其中R5和R6独立地代表氢或较低的烷基，或者与氮原子结合形成一个5或6成员的饱和或不饱和的杂环环，可选地含有一个或多个进一步的氮、硫和/或氧原子；R2为硝基或氨基；R3代表氢，较低的烷酰基或CO—NR7R8，其中R7和R8独立地代表氢，较低的烷氧基，较低的烷基或较低的环烷基，或者与氮原子结合形成一个5或6成员的饱和或不饱和的杂环环，可选地含有一个或多个进一步的氮、硫和/或氧原子；R4为氢或较低的烷基；虚线具有以下含义：如果R3和R4不存在，则C8和C9位置之间的键为单键，C8和N7位置之间的键为双键；如果R3和R4存在，则C8和C9位置之间的键和C8和N7位置之间的键均为单键；如果R3存在且R4不存在，则C8和C9位置之间的键为双键，C8和N7位置之间的键为单键。本发明化合物具有神经保护作用。

  公开号：

  US07053082B1
• 作为产物：
  描述：

  四氢呋喃 、 8-formyl-5-(3-methyl-4-nitro-phenyl)-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine 在 sodium hydroxide 作用下， 以 水 为溶剂， 以71%的产率得到5-(3-methyl-4-nitro-phenyl)-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-8-carboxylic acid
  参考文献：
  名称：

  2,3-BENZODIAZEPINE DERIVATIVES

  摘要：

  公开号：

  EP1200442B8

文献信息

• US7053082B1
  申请人：——

  公开号：US7053082B1

  公开（公告）日：2006-05-30
• [EN] NEW 2,3-BENZODIAZEPINE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE 2,3-BENZODIAZEPINES
  申请人：EGYT GYOGYSZERVEGYESZETI GYAR

  公开号：WO2001004122A2

  公开（公告）日：2001-01-18

  The invention relates to new 2,3-benzodiazepine derivatives of general Formula (I), (wherein R1 stands for methyl, formyl, carboxy, cyano, -CH=NOH, -CH=NNHCONH¿2? or -NR?5R6¿, wherein R?5 and R6¿ independently from each other represent hydrogen or lower alkyl or together with the nitrogen atom, they are attached to, form a 5- or 6-membered, saturated or unsaturated heterocyclic ring optionally containing one or more further nitrogen, sulfur and/or oxygen atom(s); R2 is nitro or amino; R3 stands for hydrogen, lower alkanoyl or CO-NR7R8, wherein R?7 and R8¿ independently from each other stand for hydrogen, lower alkoxy, lower alkyl or lower cycloalkyl or together with the nitrogen atom, they are attached to, form a 5- or 6-membered, saturated or unsaturated heterocyclic ring optionally containing one or more further nitrogen, sulfur and/or oxygen atom(s); R4 is hydrogen or lower alkyl; the dotted lines have the following meaning: if R?3 and R4¿ are not present, the bond between positions C?8 and C9¿ is a single bond and the bond between positions C?8 and N7¿ is a double bond; if R?3 and R4¿ are present, the bonds between positions C?8 and C9¿ and between position C?8 and N7¿ are single bonds; and if R3 is present and R4 is missing, the bond between positions C?8 and C9¿ is a double bond and the bond between positions C?8 and N7¿ is a single bond) and salts thereof. The invention compounds have neuroprotective effect.
• 2,3-BENZODIAZEPINE DERIVATIVES
  申请人：Egis Gyogyszergyar Rt.

  公开号：EP1200442B8

  公开（公告）日：2003-08-20
• 2,3-benzodiazepine derivatives
  申请人：EGIS Gyogyszergyar Rt.

  公开号：US07053082B1

  公开（公告）日：2006-05-30

  The invention relates to new 2,3-benzodiazepine derivatives of general Formula (I), (wherein R1 stands for methyl, formyl, carboxy, cyano, —CH═NOH, —CH═NNHCONH2 or —NR5R6, wherein R5 and R6 independently from each other represent hydrogen or lower alkyl or together with the nitrogen atom, they are attached to, form a 5- or 6-membered, saturated or unsaturated heterocyclic ring optionally containing one or more further nitrogen, sulfur and/or oxygen atom(s); R2 is nitro or amino; R3 stands for hydrogen, lower alkanoyl or CO—NR7R8, wherein R7 and R8 independently from each other stand for hydrogen, lower alkoxy, lower alkyl or lower cycloalkyl or together with the nitrogen atom, they are attached to, form a 5- or 6-membered, saturated or unsaturated heterocyclic ring optionally containing one or more further nitrogen, sulfur and/or oxygen atom(s); R4 is hydrogen or lower alkyl; the dotted lines have the following meaning: if R3 and R4 are not present, the bond between positions C8 and C9 is a single bond and the bond between positions C8 and N7 is a double bond; if R3 and R4 are present, the bonds between positions C8 and C9 and between position C8 and N7 are single bonds; and if R3 is present and R4 is missing, the bond between positions C8 and C9 is a double bond and the bond between positions C8 and N7 is a single bond) and salts thereof. The invention compounds have neuroprotective effect.

  本发明涉及一种新的2,3-苯二氮平衍生物，其一般式为（I），其中R1代表甲基，甲酰基，羧基，氰基，—CH═NOH，—CH═NNHCONH2或—NR5R6，其中R5和R6独立地代表氢或较低的烷基，或者与氮原子结合形成一个5或6成员的饱和或不饱和的杂环环，可选地含有一个或多个进一步的氮、硫和/或氧原子；R2为硝基或氨基；R3代表氢，较低的烷酰基或CO—NR7R8，其中R7和R8独立地代表氢，较低的烷氧基，较低的烷基或较低的环烷基，或者与氮原子结合形成一个5或6成员的饱和或不饱和的杂环环，可选地含有一个或多个进一步的氮、硫和/或氧原子；R4为氢或较低的烷基；虚线具有以下含义：如果R3和R4不存在，则C8和C9位置之间的键为单键，C8和N7位置之间的键为双键；如果R3和R4存在，则C8和C9位置之间的键和C8和N7位置之间的键均为单键；如果R3存在且R4不存在，则C8和C9位置之间的键为双键，C8和N7位置之间的键为单键。本发明化合物具有神经保护作用。