1-Azabicyclo[3.3.1]nonane-3-carbonitrile | 88721-81-7

• 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: 1-Azabicyclo[3.3.1]nonane-3-carbonitrile
• CAS: 88721-81-7
• 化学式: C₉H₁₄N₂
• 分子量: 150.22
• InChiKey: DWARBYZRMYCUMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Substituted azabicyclo compounds, process for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0094742A2

  公开（公告）日：1983-11-23

  A compound of formula (I), or a pharmaceutically acceptable salt, or N-oxide thereof, or a solvate of any of the foregoing: wherein p is 0 to 2; q is 0 to 3; j is 0 to 4; one of R5 and Re is hydrogen, C1-6 alkyl, phenyl or pheny-C1-3 alkyl, which phenyl moietes may be substituted by C1-6 alkyl, C1-6 alkoxy, CF3 or halogen; and the other of R5 and Re is hydrogen or C,.a alkyl; and A is of formula (II): wherein R2, R3 and R4 are each independently selected from hydrogen, halogen, CF3, C1-6 alkyl, C1-6 alkoxy, C1-6 alkylthio, C1-7 acyl, C1-7 carboxylic acylamino, C1-6 alkylsulphonylamino, N-(C1-6alkylsulphonyl)-N-C1-4 alkylamino, C1-6 alkylsulphonyl, C1-6 alkylsulphinyl, hydroxy, nitro or amino, aminocarbonyl, aminosulphonyl, aminosulphonylamino or N-(aminosulphonyl)-C1-4 alkylamino optionally N-substituted by one or two groups selected from C1-6 alkyl, C3-8 cycloalkyl, Cu cycloalkyl C1-4 alkyl, phenyl or phenyl C1-4 alkyl groups or optionally N-disubstituted by C4-5 polymethylene; or any two together are C1-2 alkylenedioxy; j is 0 to 4; and i) R, is independently any one of the values for R2, R3 or R4 except hydrogen or together with R2 is C1-2 alkylenedioxy, C1-2 oxyalkylenethio, C2-3 alkyleneoxy or N-(C1-2 oxyalkylene)-N-C1-6 alkylamino; and one of X is CO and the other is NH; or ii) X is CO and Y is NR16 where R, and R16 together are C1-2 alkylene; or ii) A is of formula (III): wherein: R2, R3 and R4 are as defined in formula (II); G is -N= or -NR13 where R,3 is hydrogen or C1-4 alkyl; L is >C<; E, J and X are each independently -CHR14, -CR14=, -N= or -NR15 where R14 is hydrogen, C1-4 alkyl or C1-4 alkylthio, and R15 is hydrogen or C1-4 alkyl, or one of E, J and Z is C:B where B is 0 or S and the other two are each independently -CR14=, -N= or -NR15 where R14 and R15 are as defined; or E is a bond, one of J and Z is -CHR14=, -N= or -NH15 as defined and the other is -CHR14=, -N=, 0 or S; or iii) A is of formula (IV): wherein: R,, R3 and R4 are as defined in formula (II), except that none is combined with any other variable to form a divalent group; and the nitrogen atom depicted in formula (I) is separated from the nearest nitrogen atom in the moiety A by at least 2 carbon atoms: a process therefor and compositions thereof.

  化合物式（I），或其药学上可接受的盐，或其N-氧化物，或任何上述物质的溶剂化物： 其中p为0至2；q为0至3；j为0至4；R5和Re中的一个为氢，C1-6烷基，苯基或苯基-C1-3烷基，其中苯基基团可以被C1-6烷基，C1-6烷氧基，CF3或卤素取代；另一个为氢或C,.a烷基；而A为式（II）： 其中R2、R3和R4各自独立选择自氢，卤素， ，C1-6烷基，C1-6烷氧基，C1-6烷基硫醇，C1-7酰基，C1-7羧酸酰胺，C1-6烷基磺酰胺，N-(C1-6烷基磺酰基)-N-C1-4烷基胺，C1-6烷基磺酰基，C1-6烷基亚磺酰基，羟基，硝基或氨基，氨基羰基，氨基磺酰基，氨基磺酰胺基或N-(氨基磺酰基)-C1-4烷基胺基，可选地N-取代为C1-6烷基，C3-8环烷基，Cu环烷基C1-4烷基，苯基或苯基C1-4烷基基团或可选地N-二取代为C4-5聚亚甲基；或任意两个一起为C1-2烷二氧基；j为0至4；而i）R,是独立的任何一个R2，R3或R4的值，除了氢或与R2一起为C1-2烷二氧基，C1-2氧基烷硫，C2-3烷氧基或N-(C1-2氧基烷基)-N-C1-6烷基胺基；其中一个X为CO，另一个为NH；或ii）X为CO，Y为NR16，其中R,和R16一起为C1-2烷基；或ii）A为式（III）： 其中：R2，R3和R4如式（II）中定义； G为-N=或-NR13，其中R,3为氢或C1-4烷基；L为>C<； E，J和X各自独立为-CHR14，-CR14=，-N=或-NR15，其中R14为氢，C1-4烷基或C1-4烷基硫，而R15为氢或C1-4烷基； 或E，J和Z中的一个为C：B，其中B为0或S，另外两个各自独立为-CR14=，-N=或-NR15，其中R14和R15如定义； 或E为键，其中J和Z中的一个为-CHR14=，-N=或-NH15，如定义，另一个为-CHR14=，-N=，0或S； 或iii）A为式（IV）： 其中：R,, R3和R4如式（II）中定义，但没有组合成二价基团； 而在式（I）中描绘的氮原子与基团A中最近的氮原子之间至少相隔2个碳原子：因此的过程及其组成物。
• Novel bridged bicyclic N-heterocycles
  申请人：BEECHAM GROUP PLC

  公开号：EP0261763A1

  公开（公告）日：1988-03-30

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: in which X represents a group in which p represents an integer of 2 to 4; r represents an integer of 1 or 2; s represents 0 or 1; and A represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises one or two heteroatoms selected from oxygen, nitrogen and sulphur, any amino nitrogen optionally substituted by a C 1-4 alkyl group, and when (p,r,s) is (2,2,0) or (2,2,1) any A comprising 2 heteroatoms is optionally C-substituted by a methyl group, and when (p,r,s) is (2,1,0), (2,1,1) or (3,1,0) any A comprising 2 heteroatoms is optionally C-substituted by C 1-2 alkyl and any A comprising one heteroatom is optionally C-substituted by a methyl group, and wherein compounds of formula (I) having two assymetric centres have the stereo-chemical configuration in which the group X and the (CH₂) r bridge are on the same side of the plane of the molecule which contains both bridgehead atoms and the ring carbon atom bonded to the group X.

  式 (I) 的化合物或其药学上可接受的盐： 其中 X 代表一个基团 其中 p 代表 2 至 4 的整数；r 代表 1 或 2 的整数；s 代表 0 或 1；以及 A 代表完成 5 元芳香环的 3 元二价残基，包含一个或两个选自氧、氮和硫的杂原子、当（p,r,s）为（2,2,0）或（2,2,1）时，包含 2 个杂原子的任何 A 可选择被一个甲基取代，当（p,r,s）为（2,1,0）、（2,1,1）或（3,1、0）时，包含 2 个杂原子的任何 A 可任选由 C 1-2 烷基取代，包含 1 个杂原子的任何 A 可任选由甲基取代，其中具有两个同义中心的式 (I) 化合物具有立体化学构型，其中基团 X 和 (CH₂) r 桥位于分子平面的同一侧，分子平面包含桥头原子和与基团 X 键合的环碳原子。
• Contrast enhancement layer compositions, alkylnitrones, and use
  申请人：MicroSi, Inc. (a Delaware corporation)

  公开号：EP0254221A2

  公开（公告）日：1988-01-27

  Contrast enhancement compositions are provided which can be used to make contrast enhancement layer photoresist composites. The composites can be used to make patterned photoresists under mid-UV light and utilize photobleachable alkylnitrones.

  对比度增强组合物可用于制造对比度增强层光刻胶复合材料。这种复合材料可用于在中紫外光下制作图案化光刻胶，并利用可光漂白的烷基硝基化合物。
• Azabicyclic compounds, process and intermediates for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0257741A2

  公开（公告）日：1988-03-02

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: in which A represents a bond or -CH₂- and B represents hydrogen, or A and B together with carbon atom to which they are both attached represents a group -CH=C ; R represents R₁OOC- in which R₁ is C1-4 alkyl, C2-4 alkenyl or C2-4 alkynyl; R₂O- in which R₂ is C1-3 alkyl, C1-2 alkylcarbonyl or aminocarbonyl optionally substituted by one or two methyl groups; or R₃CH₂⁻ in which R₃ is C1-2 alkoxy; and p represents an integer of 2 to 4, and wherein compounds of formula (I) where B is hydrogen have the stereochemical configuration in which the group R and the methylene bridge are both on the same side of the plane of the molecule which contains both bridge head atoms and the ring carbon atom bonded to the group R.

  一种式(I)化合物或其药学上可接受的盐： 其中 A 代表键或-CH₂-，B 代表氢，或 A 和 B 连同它们所连接的碳原子代表一个基团 -CH=C；R 代表 R₁OOC-，其中 R₁ 是 C1-4 烷基、C2-4 烯基或 C2-4 烷炔基；R₂O-，其中 R₂ 是 C1-3 烷基、C1-2 烷基羰基或可选被一个或两个甲基取代的氨基羰基；或 R₃CH₂-，其中 R₃ 是 C1-2 烷氧基；以及 p 代表 2 至 4 的整数，其中 B 是氢的式 (I) 化合物具有立体化学构型，其中基团 R 和亚甲基桥位于分子平面的同一侧，分子平面包含桥头原子和与基团 R 键合的环碳原子。
• US4612319A
  申请人：——

  公开号：US4612319A

  公开（公告）日：1986-09-16