3-硝基-4-氨基苯丙酸 | 54405-44-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 3-硝基-4-氨基苯丙酸
• 中文别名: 4-氨基-3-硝基-苯丙酸
• 英文名称: 3-(4-amino-3-nitro-phenyl)-propionic acid
• 英文别名: 3-(4-Amino-3-nitro-phenyl)-propionsaeure；β-(3-Nitro-4-amino-phenyl)-propionsaeure；3-Nitro-4-amino-hydrozimtsaeure；3-(4-Amino-3-nitrophenyl)propanoic acid
• CAS: 54405-44-6
• 化学式: C₉H₁₀N₂O₄
• 分子量: 210.189
• InChiKey: SJVISUXJSCQKSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  3-硝基-4-氨基苯丙酸 在 盐酸 、 tin 作用下， 生成 3-氨基苯丙酸
  参考文献：
  名称：

  Gabriel; Steudemann, Chemische Berichte, 1882, vol. 15, p. 846

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 3-硝基-4-氨基苯丙酸
  参考文献：
  名称：

  Gabriel; Steudemann, Chemische Berichte, 1882, vol. 15, p. 846

  摘要：

  DOI：

文献信息

• Benzene derivatives having NGF production-promoting activity
  申请人：Sankyo Company, Limited

  公开号：US05643925A1

  公开（公告）日：1997-07-01

  Novel benzene derivatives are provided of the general formula (I): ##STR1## [wherein R.sup.1 represents an amino group, a substituted amino group, a protected amino group, or a nitro group; R.sup.2 represents an amino group, a substituted amino group, a protected amino group, a hydroxy group, a substituted hydroxy group, or a protected hydroxy group; R.sup.3 represents an amino group, a substituted amino, a heterocyclyl group having a ring nitrogen atom as the point of binding, or a substituted heterocyclyl group having a ring nitrogen atom as the point of binding; m is 0 to 2; n is 0 to 6; with the proviso that when m is 0, then n represents an integer from 2 to 6] and salts thereof. Compounds of formula (I) except those wherein R.sup.1 is a nitro group have activity in promoting production of nerve growth factor. Compounds of formula (I) wherein R.sup.1 is a nitro group are intermediates for compounds of formula (I) wherein R.sup.1 is an amino group.

  提供一般式（I）的新型苯衍生物：##STR1## [其中R.sup.1代表氨基，取代氨基，保护氨基或硝基；R.sup.2代表氨基，取代氨基，保护氨基，羟基，取代羟基或保护羟基；R.sup.3代表氨基，取代氨基，具有环氮原子作为结合点的杂环基团或取代杂环基团，m为0至2，n为0至6；但当m为0时，n表示2至6的整数]及其盐。除R.sup.1为硝基的化合物外，式（I）的化合物具有促进神经生长因子产生的活性。其中R.sup.1为硝基的化合物是R.sup.1为氨基的化合物的中间体。
• Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US10703727B2

  公开（公告）日：2020-07-07

  The present invention relates to a method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives of the general formula (I) in which R1 represents a hydrogen atom or R1 represents a group selected from the series of C1-C3-alkyl-, C1-C3-alkoxy-, C1-C3-haloalkyl- and C1-C3-haloalkoxy-, R2 represents a hydrogen atom or a C1-C3-alkyl group, R3 represents a hydrogen atom or a C1-C3-alkyl group, R4 represents a cyclohexyl group, which is optionally singly or multiply substituted by a C1-C3-alkyl group, and R5 represents a hydrogen atom or a C1-C6-alkyl group; and also intermediates which may be used to prepare substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives. The present invention also relates to a crystalline form of 3-(2-[4-(trifluoromethoxy)phenyl]amino}-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]-1H-benzimidazol-5-yl)propanoic acid, pharmaceutical compositions comprising this crystalline form, and also the use of this crystalline form for preparing a medicament for the treatment of a disease.

  本发明涉及一种制备通式(I)的取代的3-(2-苯胺基-1-环己基-1H-苯并咪唑-5-基)丙酸衍生物的方法，通式(I)中R1代表氢原子或R1代表选自C1-C3-烷基-、C1-C3-烷氧基-、C1-C3-卤代烷基-和C1-C3-卤代烷氧基-系列的基团，R2代表氢原子或C1-C3-烷基，R3代表氢原子或C1-C3-烷氧基、C1-C3-卤代烷基和 C1-C3-卤代烷氧基，R2 代表氢原子或 C1-C3- 烷基，R3 代表氢原子或 C1-C3- 烷基，R4 代表环己基，该环己基可选择被 C1-C3- 烷基单个或多个取代，R5 代表氢原子或 C1-C6- 烷基；以及可用于制备取代的 3-(2-苯胺基-1-环己基-1H-苯并咪唑-5-基)丙酸衍生物的中间体。本发明还涉及 3-(2-[4-(三氟甲氧基)苯基]氨基}-1-[(1R,5R)-3,3,5-三甲基环己基]-1H-苯并咪唑-5-基)丙酸的结晶形式、包含这种结晶形式的药物组合物，以及使用这种结晶形式制备治疗疾病的药物。
• Gabriel, Chemische Berichte, 1882, vol. 15, p. 2295
  作者：Gabriel

  DOI：——

  日期：——
• New benzene derivatives having (NGF) production-promoting activity
  申请人：Sankyo Company Limited

  公开号：EP0501656B1

  公开（公告）日：1997-01-22
• METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20180222871A1

  公开（公告）日：2018-08-09

  The present invention relates to a method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives of the general formula (I) in which R 1 represents a hydrogen atom or R 1 represents a group selected from the series of C 1 -C 3 -alkyl-, C 1 -C 3 -alkoxy-, C 1 -C 3 -haloalkyl- and C 1 -C 3 -haloalkoxy-, R 2 represents a hydrogen atom or a C 1 -C 3 -alkyl group, R 3 represents a hydrogen atom or a C 1 -C 3 -alkyl group, R 4 represents a cyclohexyl group, which is optionally singly or multiply substituted by a C 1 -C 3 -alkyl group, and R 5 represents a hydrogen atom or a C 1 -C 6 -alkyl group; and also intermediates which may be used to prepare substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives. The present invention also relates to a crystalline form of 3-(2-[4-(trifluoromethoxy)phenyl]amino}-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]-1H-benzimidazol-5-yl)propanoic acid, pharmaceutical compositions comprising this crystalline form, and also the use of this crystalline form for preparing a medicament for the treatment of a disease.