methyl 3-[p-(ε-N-acetylaminocaproyl)phenyl]-propionate | 82086-02-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-[p-(ε-N-acetylaminocaproyl)phenyl]-propionate
• 英文别名: methyl 3-[p-(epsilon-N-acetylaminocaproyl)phenyl]-propionate；methyl 3-[4-(6-acetamidohexanoyl)phenyl]propanoate
• CAS: 82086-02-0
• 化学式: C₁₈H₂₅NO₄
• 分子量: 319.401
• InChiKey: ZXQSLBQTFXGQMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-[p-(ε-N-acetylaminocaproyl)phenyl]-propionate 生成 3-[4-(6-Aminohexanoyl)phenyl]propanoic acid
  参考文献：
  名称：

  TAKEHSITA, TORU;XOGA, KEHNDZI;OTSU, AKIRA;NARITOMO, TATSUYUKI

  摘要：

  DOI：
• 作为产物：
  描述：

  ε-N-acetylaminocaproyl chloride 、 3-苯丙酸甲酯 生成 methyl 3-[p-(ε-N-acetylaminocaproyl)phenyl]-propionate
  参考文献：
  名称：

  TAKEHSITA, TORU;XOGA, KEHNDZI;OTSU, AKIRA;NARITOMO, TATSUYUKI

  摘要：

  DOI：

文献信息

• Aminocarboxylic acids, amino alcohols, or the derivatives thereof,
  申请人：Teijin Limited

  公开号：US04402975A1

  公开（公告）日：1983-09-06

  A compound represented by the following formula ##STR1## wherein R.sup.1 represents a hydrogen atom, an acyl group or an alkoxycarbonyl group; X.sup.1 represents an alkylene group having 3 to 6 carbon atoms, a 1,4-cyclohexylene group, or a 1,4-phenylene group, the alkylene group may be substituted by an alkyl group having 1 to 6 carbon atoms, and the 1,4-phenylene group may be substituted by 1 or 2 substituents selected from halogen atoms and alkoxy groups having 1 to 6 carbon atoms; R.sup.2 represents a hydrogen atom or a hydroxyl group and R.sup.3 represents hydrogen atom, or R.sup.2 and R.sup.3 together may form an oxo group (.dbd.O), and when X.sup.1 is other than the 1,4-phenylene group, R.sup.2 represents a hydrogen atom and R.sup.3 represents a bond between the carbon atoms to which R.sup.3 is bonded and that carbon atom of X.sup.1 which is adjacent to said carbon atom; X.sup.2 represents an alkylene group having 1 to 5 carbon atoms which may be substituted by an alkyl group having 1 to 6 carbon atoms or an amino group; and R.sup.4 represents the group --COOR.sup.5, --CH.sub.2 OR.sup.6 or --CONR.sup.7 R.sup.8 in which R.sup.5 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, R.sup.6 represents a hydrogen atom or an acyl group having 1 to 6 carbon atoms, and R.sup.7 and R are identical or different and represent a hydrogen atom or an alkyl group having 1 to 6 carbon atoms or taken together may form a 5- or 6-membered ring; or an acid addition salts of said compound wherein R.sup.1 represents a hydrogen atom or X.sup.2 represents an alkylene group having an amino group, or salts of said compound wherein R.sup.5 represents a hydrogen atom. The compounds represented by the above formula or their pharmaceutically acceptable salts are useful as anti-ulcer agents. The present invention also provides a process for producing the compounds or their pharmaceutically acceptable salts, which comprises acylating a protected derivative at the amino group of a corresponding acid halide with a corresponding substituted benzene in the presence of a Lewis acid; or reducing a corresponding compound in the presence of an inert solvent under conditions which induce reduction of the carbonyl group of said corresponding compound without substantially reducing the phenylene group of said corresponding compound; or dehydrating a corresponding compound.

  以下化合物由以下式子表示：##STR1## 其中R.sup.1代表氢原子、酰基或烷氧羰基；X.sup.1代表具有3至6个碳原子的烷基、1,4-环己基或1,4-苯基，烷基可以被具有1至6个碳原子的烷基取代，而1,4-苯基可以被1个或2个卤素原子和具有1至6个碳原子的烷氧基所取代；R.sup.2代表氢原子或羟基，R.sup.3代表氢原子，或R.sup.2和R.sup.3一起可以形成氧代基(.dbd.O)，当X.sup.1不是1,4-苯基时，R.sup.2代表氢原子，而R.sup.3代表与R.sup.3键合的碳原子和邻接于该碳原子的X.sup.1的碳原子之间的键；X.sup.2代表具有1至5个碳原子的烷基，可以被具有1至6个碳原子的烷基或氨基取代；R.sup.4代表羧酸酯基--COOR.sup.5、羟基烷基--CH.sub.2 OR.sup.6或酰胺基--CONR.sup.7 R.sup.8，其中R.sup.5代表氢原子或具有1至6个碳原子的烷基，R.sup.6代表氢原子或具有1至6个碳原子的酰基，R.sup.7和R代表相同或不同的氢原子或具有1至6个碳原子的烷基，或者一起形成一个5或6元环；或者其酸加成盐，其中R.sup.1代表氢原子或X.sup.2代表具有氨基的烷基，或其盐，其中R.sup.5代表氢原子。上述式子所表示的化合物或其药学上可接受的盐作为抗溃疡剂有用。本发明还提供了一种制备所述化合物或其药学上可接受的盐的方法，该方法包括在路易斯酸存在下用相应的取代苯与相应的酸卤化物的保护衍生物的氨基基团酰化；或在惰性溶剂存在下还原相应的化合物，在诱导还原所述相应化合物的羰基团的条件下，而不显著还原所述相应化合物的苯基；或者脱水相应的化合物。
• Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds
  申请人：TEIJIN LIMITED

  公开号：EP0044541B1

  公开（公告）日：1983-09-21
• US4402975A
  申请人：——

  公开号：US4402975A

  公开（公告）日：1983-09-06