4-Oxa-1-aza-bicyclo[3.3.1]non-6-ylamine | 107904-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-Oxa-1-aza-bicyclo[3.3.1]non-6-ylamine
• 英文别名: 4-Oxa-1-azabicyclo[3.3.1]nonan-6-amine
• CAS: 107904-00-7
• 化学式: C₇H₁₄N₂O
• mdl: MFCD19210712
• 分子量: 142.201
• InChiKey: UHRGMJYITZJLGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Oxa-1-aza-bicyclo[3.3.1]non-6-ylamine 在 sodium hydroxide 作用下， 生成 4-Amino-5-chloro-2-methoxy-N-(4-oxa-1-aza-bicyclo[3.3.1]non-6-yl)-benzamide
  参考文献：
  名称：

  The synthesis of 2-morpholine carboxylic acid derivatives and their elaboration to 1-aza-4-oxabicyclo[3.3.1]nonan-6-one.

  摘要：

  Two syntheses of novel 2-morpholine carboxylic acid derivatives are described. The esters were converted into 1-aza-4-oxabicyclo[3.3.1]nonan-6-one, the first example of this ring system, which was further elaborated to the ortho-methoxy benzamide derivative (2).

  DOI：

  10.1016/s0040-4039(00)79702-4
• 作为产物：
  描述：

  1-aza-4-oxabicyclo<3.3.1>nonan-6-one 在 lithium aluminium tetrahydride 、 盐酸羟胺 作用下， 生成 4-Oxa-1-aza-bicyclo[3.3.1]non-6-ylamine
  参考文献：
  名称：

  The synthesis of 2-morpholine carboxylic acid derivatives and their elaboration to 1-aza-4-oxabicyclo[3.3.1]nonan-6-one.

  摘要：

  Two syntheses of novel 2-morpholine carboxylic acid derivatives are described. The esters were converted into 1-aza-4-oxabicyclo[3.3.1]nonan-6-one, the first example of this ring system, which was further elaborated to the ortho-methoxy benzamide derivative (2).

  DOI：

  10.1016/s0040-4039(00)79702-4

文献信息

• Oxa-, thia- and diazabicycloalkane derivatives, process for their preparation and their use as pharmaceuticals
  申请人：BEECHAM GROUP PLC

  公开号：EP0226267A1

  公开（公告）日：1987-06-24

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein: j is 0 or 1; q is 0, 1 or 2; p is 0 and r is 2 or 3, or p is 1 and r is 2; X is 0, S, SO or NR where R is hydrogen, C1-6 alkyl or C1-10 carboxylic acyl; Y is NH; or 0 when R, is hydrogen; either R, is C1-6 alkoxy and one of R2, R3 and R4 is hydrogen and the other two are selected from hydrogen, halogen, CF3, C1-6 alkylthio, C1-7 acyl, C1-10 carboxylic acyiamino, C1-6 alkyl S(O)n wherein n is 0, or 2, nitro or amino, aminocarbonyl or aminosulphonyl optionally substituted by one or two groups selected from C1-6 alkyl, C3-8 cycloalkyl, C3-8 cycloalkyl, C3-8 cycloalkyl C1-4 alkyl or phenyl C1-4 alkyl groups any of which phenyl moieties may be substituted by one or two groups selected from halogen, CF3, C1-6 alkyl or C1-6 alkoxy; or R, is hydrogen and R2, R3 and R4 are independently selected from hydrogen; C1-6 alkyl. hydroxy, C1-6 alkoxy, C1-6 alkylthio or halo; or any two on adjacent carbon atoms together are C1-2 alkylenedioxy and the third is hydrogen, C1-6 alkyl, C1-6 alkoxy or halo; one of R5 and R6 is hydrogen, C1-6 alkyl, phenyl or phenyl-C1-6 alkyl, which phenyl moieties may be substituted by C1-6 alkyl, C1-6 alkoxy or haiogen; and the other is hydrogen or C1-6 alkyl; and R7 is hydrogen, C, alkyl, phenyl or phenyl-C1-3 alkyl, which phenyl moieties may be substituted by C1-6 alkyl, C1-6 alkoxy, CF3 or halogen having gastric motility enhancing activity, anti-emetic activity and/or 5-HT receptor ant. agonist activity, a process and intermediates for their preparation and their use as pharmaceuticals.

  式 (I) 的化合物或其药学上可接受的盐： 其中 j 为 0 或 1 q 是 0、1 或 2 p 为 0，r 为 2 或 3，或 p 为 1，r 为 2； X 是 0、S、SO 或 NR，其中 R 是氢、C1-6 烷基或 C1-10 羧酰基； 当 R 为氢时，Y 为 NH；当 R 为氢时，Y 为 0；当 R 为 C1-6 烷氧基，且 R2、R3 和 R4 中的一个为氢，另两个选自氢、卤素、CF3、C1-6 烷硫基、C1-7 乙酰基、C1-10 羧酰基氨基、C1-6 烷基 S(O)n 时，Y 为 0。 烷基 S(O)n，其中 n 为 0 或 2；硝基或氨基、氨基羰基或氨基磺酰基，可任选被一个或两个选自 C1-6 烷基、C3-8 环烷基、C3-8 环烷基、C3-8 环烷基 C1-4 烷基或苯基 C1-4 烷基的基团取代，其中任何苯基基团可被一个或两个选自卤素、CF3、C1-6 烷基或 C1-6 烷氧基的基团取代；或 R 为氢，R2、R3 和 R4 独立选自氢、C1-6 烷基R5和R6中的一个是氢、C1-6烷基、苯基或苯基-C1-6烷基，其中苯基可被C1-6烷基、C1-6烷氧基或硫代卤素取代；另一个是氢或C1-6烷基。 R7 是氢、C、烷基、苯基或苯基-C1-3 烷基，其中苯基可被 C1-6 烷基、C1-6 烷氧基、CF3 或卤素取代，具有胃动力增强活性、止吐活性和/或 5-HT 受体拮抗剂活性，以及制备它们的工艺和中间体及其作为药物的用途。
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