methyl 5-hexenimidoate hydrochloride | 913061-15-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: methyl 5-hexenimidoate hydrochloride
• 英文别名: Methyl 5-hexenimidoate hydrochloride；methyl hex-5-enimidate;hydrochloride
• CAS: 913061-15-1
• 化学式: C₇H₁₃NO*ClH
• 分子量: 163.647
• InChiKey: AVPUMHDZXSOXQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  33.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 5-hexenimidoate hydrochloride 在 sodium periodate 、 四氧化锇 、 三乙酰氧基硼氢化钠 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 为溶剂， 反应 26.0h， 生成 (1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)butyl]-3-azabicyclo[3.1.0]hexane hydrochloride
  参考文献：
  名称：

  WO2006/108701

  摘要：

  公开号：
• 作为产物：
  描述：

  甲醇 、 5-己烯腈 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 0.17h， 生成 methyl 5-hexenimidoate hydrochloride
  参考文献：
  名称：

  AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS

  摘要：

  公开号：

  EP1926723B1

文献信息

• 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS
  申请人：Bonanomi Giorgio

  公开号：US20090124629A1

  公开（公告）日：2009-05-14

  The present invention relates to novel compounds of formula (I) or pharmaceutically acceptable salt thereof: wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl and indazolyl; p is an integer ranging from 0 to 5; R 1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ; or corresponds to a group R 5 ; each R 2 is independently hydrogen, fluorine or C 1-4 alkyl; n is 2, 3, 4, or 5; R 3 is C 1-4 alkyl; R 4 is hydrogen, or a C 1-4 alkyl group, a benzyl group, a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ;or R 4 is a —SR 6 group; R 5 is selected from a group consisting of: isoxazolyl, —CH 2 —N-pyrrolyl, 1,1-dioxido- 2-isothiazolidinyl, thienyl, thiazolyl, pyridyl and 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from a group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy and C 1-4 alkanoyl; R 6 is C 1-4 alkyl or —CH 2 C 3-4 cycloalkyl; and when R 1 is chlorine and p is 1, such R 1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R 1 corresponds to R 5 , p is 1. processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D 3 receptors, e.g. to treat drug dependency, as antipsychotic agents, to treat obsessive compulsive spectrum disorders, premature ejaculation or cognition impairment.

  本发明涉及以下式（I）的新化合物或其药学上可接受的盐：其中G选自以下组：苯基，吡啶基，苯并噻唑基和吲唑基；p为0至5的整数；R1独立选自以下组：卤素，羟基，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，卤代C1-4烷氧基，C1-4酰基和SF5；或对应于R5基团；每个R2独立地为氢，氟或C1-4烷基；n为2、3、4或5；R3为C1-4烷基；R4为氢，或C1-4烷基，苄基，苯基，杂环基，5-或6-成员杂芳基，或8-至11-成员双环基团，其中任何一个基团可以选择地由1、2、3或4个来自以下组的取代基取代：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，卤代C1-4烷氧基，C1-4酰基和SF5；或R4为-SR6基团；R5选自以下组：异噁唑基，-CH2-N-吡咯基，1,1-二氧化-2-异噻唑烷基，噻唑基，吡啶基和2-吡咯烷基，并且此类基团可以选择地由1或2个来自以下组的取代基取代：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基和C1-4酰基；R6为C1-4烷基或-CH2C3-4环烷基；当R1为氯且p为1时，此类R1不在与分子的其余部分的连接键的正交位置上存在；当R1对应于R5时，p为1。本发明还涉及制备这些化合物的方法，用于这些方法的中间体，包含它们的药物组合物以及它们作为多巴胺D3受体调节剂的用途，例如用于治疗药物依赖，作为抗精神病药物，用于治疗强迫症谱系障碍，早泄或认知障碍。
• AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS
  申请人：Arista Luca

  公开号：US20090221618A1

  公开（公告）日：2009-09-03

  The present invention relates to novel compounds of formula (I) or a salt thereof: wherein: p is 0, 1, 2, 3, 4 or 5; R 1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ; n is 3 or 4; R 2 is hydrogen or C 1-4 alkyl; n is 2 or 3; X is —CH 2 —, —O— or —S—; Z may be —CH— or N; A is a group P or P1, wherein P is and P1 is ; and Y is hydrogen, —OH, C 1-4 alkyl, haloC 1-4 alkyl, phenyl or a heteroaromatic group, wherein the phenyl and the heteroaromatic group are optionally substituted by one or two substituents selected from a group consisting of C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy and haloC 1-4 alkoxy; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D 3 receptors, e.g. to treat substance related disorders, as antipsychotic agents premature ejaculation or cognition impairment.

  本发明涉及式（I）的新化合物或其盐： 其中： p为0、1、2、3、4或5； R1独立地选自以下组：卤素、羟基、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、卤代C1-4烷氧基、C1-4酰基和SF5； n为3或4； R2为氢或C1-4烷基； n为2或3； X为—CH2—、—O—或—S—； Z可以是—CH—或N； A是P或P1，其中P为，P1为； Y为氢、—OH、C1-4烷基、卤代C1-4烷基、苯基或杂环芳基，其中苯基和杂环芳基可以选择地被一个或两个取代基取代，所述取代基选自C1-4烷基、卤代C1-4烷基、C1-4烷氧基和卤代C1-4烷氧基； 本发明还涉及制备它们的方法，用于这些方法的中间体，含有它们的制药组合物以及它们作为多巴胺D3受体调节剂的用途，例如用于治疗物质相关障碍、作为抗精神病药物、早泄或认知障碍的治疗剂。
• Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors
  申请人：Glaxo Group Limited

  公开号：US07745458B2

  公开（公告）日：2010-06-29

  The present invention relates to novel compounds of formula (I) or a salt thereof: wherein: p is 0, 1, 2, 3, 4 or 5; R1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C1-4alkyl, haloC1-4alkyl, C1-4alkoxy, haloC1-4alkoxy, C1-4alkanoyl and SF5; n is 3 or 4; R2 is hydrogen or C1-4alkyl; n is 2 or 3; X is —CH2—, —O— or —S—; Z may be —CH— or N; A is a group P or P1, wherein P is and P1 is and Y is hydrogen, —OH, C1-4alkyl, haloC1-4alkyl, phenyl or a heteroaromatic group, wherein the phenyl and the heteroaromatic group are optionally substituted by one or two substituents selected from a group consisting of C1-4alkyl, haloC1-4alkyl, C1-4alkoxy and haloC1-4alkoxy; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D3 receptors, e.g. to treat substance related disorders, as antipsychotic agents premature ejaculation or cognition impairment.

  本发明涉及公式（I）的新化合物或其盐： 其中： p为0、1、2、3、4或5； R1独立选择自以下组：卤素、羟基、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、卤代C1-4烷氧基、C1-4酰基和SF5； n为3或4； R2为氢或C1-4烷基； n为2或3； X为—CH2—、—O—或—S—； Z可以是—CH—或N； A是P或P1组，其中P为 和P1为 Y为氢、—OH、C1-4烷基、卤代C1-4烷基、苯基或杂环芳基，其中苯基和杂环芳基可以选择性地被一或两个取代基所取代，所述取代基选择自以下组：C1-4烷基、卤代C1-4烷基、C1-4烷氧基和卤代C1-4烷氧基； 本发明还涉及制备这些化合物的方法、用于这些方法的中间体、含有它们的制药组合物以及它们作为多巴胺D3受体调节剂的用途，例如用于治疗物质相关障碍、作为抗精神病药物、治疗早泄或认知障碍。
• 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors
  申请人：Glaxo Group Limted

  公开号：US07947683B2

  公开（公告）日：2011-05-24

  The present invention relates to novel compounds of formula (I) or pharmaceutically acceptable salt thereof: processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D3 receptors, e.g. to treat drug dependency, as antipsychotic agents, to treat obsessive compulsive spectrum disorders, premature ejaculation or cognition impairment.

  本发明涉及化合物的新型公式（I）或其药学上可接受的盐：制备它们的过程，用于这些过程的中间体，包含它们的制药组合物以及它们作为多巴胺D3受体调节剂的治疗用途，例如治疗药物依赖，作为抗精神病药物，治疗强迫症谱系障碍，早泄或认知障碍。
• 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1869017A1

  公开（公告）日：2007-12-26