Hex-5-enimidamide | 927799-81-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Hex-5-enimidamide
• CAS: 927799-81-3
• 化学式: C₆H₁₂N₂
• 分子量: 112.175
• InChiKey: WNVZHNDGRVTFRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Hex-5-enimidamide 、 以 乙腈 为溶剂， 反应 4.0h， 以72%的产率得到4-(tert-butyl) 6-ethyl 2-(pent-4-en-1-yl)pyrimidine-4,6-dicarboxylate
  参考文献：
  名称：

  非互补取代的 1,2,3-三嗪的环加成反应

  摘要：

  描述了取代的 1,2,3-三嗪的 [4 + 2] 环加成反应的范围，在 C4 和/或 C6 上带有吸电子基团的非互补取代。这些研究定义了影响 1,2,3-三嗪与脒、烯胺和炔胺的环加成反应的反应性、模式（C4/N1 与 C5/N2）和区域选择性的取代基的关键电子和空间效应，提供了获得高度功能化的杂环。

  DOI：

  10.1021/ol502436n

文献信息

• Cycloadditions of 1,2,3-Triazines Bearing C5-Electron Donating Substituents: Robust Pyrimidine Synthesis
  作者：Christopher M. Glinkerman、Dale L. Boger

  DOI：10.1021/acs.orglett.5b01870

  日期：2015.8.21

  The examination of the cycloaddition reactions of 1,2,3-triazines 17–19, bearing electron-donating substituents at C5, are described. Despite the noncomplementary 1,2,3-triazine C5 substituents, amidines were found to undergo a powerful cycloaddition to provide 2,5-disubstituted pyrimidines in excellent yields (42–99%; EDG = SMe > OMe > NHAc). Even select ynamines and enamines were capable of cycloadditions

  的1,2,3-三嗪的环加成反应的检查17 - 19，轴承供电子取代基在C5，进行说明。尽管有非互补的1,2,3-三嗪C5取代基，但发现am可进行强力的环加成反应，从而以优异的收率（42–99％； EDG = SMe> OMe> NHAc）提供2，5-二取代的嘧啶。甚至选择的乙胺和烯胺也能与17而不是18或19进行环加成反应，从而以适中的收率（分别为37-40％和33％）提供三取代的吡啶。
• 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 RCEPTORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1926723B1

  公开（公告）日：2009-05-13
• Process for chemical synthesis from an alkenone made from a halogenated precursor
  申请人：BRAUN Max

  公开号：US20140051892A1

  公开（公告）日：2014-02-20

  Process for synthesizing a chemical, in particular an agriculturally or pharmaceutically active compound, including: a first step comprising reacting a carboxylic acid halide with a vinyl ether to prepare a halogenated precursor of an alkenone; a second step comprising eliminating hydrogen halide from such precursor to form an alkenone, preferably by thermolysis under specific conditions; and a third step which uses the formed alkenone as a building block to synthesize the chemical. First step may be done in a liquid reaction medium comprising an alkenone or a halogenated alkenone precursor, or in a liquid reaction medium in turbulent state, specifically by creation of gas bubbles of the carboxylic acid halide herein. Second step may include a flash thermolysis, vacuum thermolysis, thermolysis under stripping with inert gas, and/or a thermolysis at a temperature from >90° C. to 120° C. Third step preferably comprises reacting the alkenone with a nitrogen-containing compound.
• US6613351B1
  申请人：——

  公开号：US6613351B1

  公开（公告）日：2003-09-02