5,5-二甲基-1-(2-丙炔-1-基)-3-吡唑烷酮 | 131391-07-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 5,5-二甲基-1-(2-丙炔-1-基)-3-吡唑烷酮
• 英文名称: 5,5-dimethyl-1-(2-propynyl)-3-pyrazolidinone
• 英文别名: 5,5-Dimethyl-1-(prop-2-ynyl)pyrazolidin-3-one；5,5-dimethyl-1-prop-2-ynylpyrazolidin-3-one
• CAS: 131391-07-6
• 化学式: C₈H₁₂N₂O
• 分子量: 152.196
• InChiKey: QCHZSHSTRFZVJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,5-二甲基-1-(2-丙炔-1-基)-3-吡唑烷酮 在 硫酸 sodium tetrahydroborate 、 硫酸 、 四氯化钛 、 sodium hydride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 (1S,5S,8S)-3-Chloro-7,7-dimethyl-1,8-diaza-bicyclo[3.2.1]oct-3-ene-8-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of bridged bicyclic hydrazines via cyclic N-acylhydrazonium intermediates

  摘要：

  DOI：

  10.1016/s0040-4039(00)98073-0
• 作为产物：
  描述：

  5,5-二甲基吡唑啉-3-酮 生成 5,5-二甲基-1-(2-丙炔-1-基)-3-吡唑烷酮
  参考文献：
  名称：

  PIRRUNG, FRANK O. H.;RUTJES, FLORIS P. I. T.;HIEMSTRA, HENK;SPECKAMP, W. +, TETRAHEDRON LETT., 31,(1990) N7, C. 5365-5368

  摘要：

  DOI：

文献信息

• N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS
  申请人：Konradi Andrei W.

  公开号：US20100081680A1

  公开（公告）日：2010-04-01

  The current invention provides compounds having a structure according to Formulae 1, 2, 3, and 4: wherein the A-ring, B-ring, C-ring, m, n, R 25 , R 50 , and R 51 are as described in the specification. The invention also provides pharmaceutical compositions comprising compounds of Formulae 1, 2, 3, and 4, as well as methods of treating cognitive disorders, such as Alzheimer's disease. The invention further provides intermediates useful in preparing the compounds of Formulae 1, 2, 3, and 4.

  当前发明提供具有根据公式1、2、3和4结构的化合物：其中A环、B环、C环、m、n、R25、R50和R51如说明书所述。该发明还提供了包含公式1、2、3和4化合物的药物组合物，以及治疗认知障碍的方法，如阿尔茨海默病。该发明进一步提供了用于制备公式1、2、3和4化合物的有用的中间体。
• Synthesis of bridged bicyclic hydrazines via endocyclic N-acylhydrazonium intermediates: A novel route to the 1-Azatropane skeleton
  作者：Floris P.J.T Rutjes、Henk Hiemstra、Frank O.H Pirrung、W.Nico Speckamp

  DOI：10.1016/s0040-4020(01)80199-x

  日期：1993.1

  Bicyclic molecules with the 1,7-diaza-6,6-dimethylbicyclo[2.2.1]heptane and 1,8-diaza-7,7-dimethylbicyclo[3.2.1]octane (1-aza-7,7-dimethyltropane) skeleton are shown to be efficiently synthesized via cyclization reactions of endocyclic N-acylhydrazonium intermediates. By using a protected β-ketoester as the internal nucleophile, azacocaine analogues are also accessible via this methodology.

  具有1,7-二氮杂-6,6-二甲基双环[2.2.1]庚烷和1,8-二氮杂-7,7-二甲基双环[3.2.1]辛烷（1-氮杂-7,7-二甲基托烷）的双环分子骨架是通过内环N-酰基hydr中间体的环化反应有效合成的。通过使用受保护的β-酮酸酯作为内部亲核试剂，也可以通过这种方法获得氮杂可卡因类似物。
• N-sulfonamido polycyclic pyrazolyl compounds
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US08283358B2

  公开（公告）日：2012-10-09

  The current invention provides compounds having a structure according to Formulae 1, 2, 3, and 4: wherein the A-ring, B-ring, C-ring, m, n, R25, R50, and R51 are as described in the specification. The invention also provides pharmaceutical compositions comprising compounds of Formulae 1, 2, 3, and 4, as well as methods of treating cognitive disorders, such as Alzheimer's disease. The invention further provides intermediates useful in preparing the compounds of Formulae 1, 2, 3, and 4.

  当前发明提供了具有以下结构的化合物，其化学式分别为1、2、3和4：其中，A环、B环、C环、m、n、R25、R50和R51的描述详见说明书。该发明还提供了包括化学式1、2、3和4的化合物的制药组合物，以及治疗认知障碍，如阿尔茨海默病的方法。该发明还提供了在制备化学式1、2、3和4的化合物中有用的中间体。
• US8283358B2
  申请人：——

  公开号：US8283358B2

  公开（公告）日：2012-10-09
• [EN] N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS<br/>[FR] COMPOSÉS N-SULFONAMIDO PYRAZOLYLES POLYCYCLIQUES
  申请人：ELAN PHARM INC

  公开号：WO2010028213A2

  公开（公告）日：2010-03-11

  The current invention provides compounds having a structure according to Formulae (1), (2), (3), and (4): wherein the A-ring, B-ring, C-ring, m, n, R25, R50, and R51 are as described in the specification. The invention also provides pharmaceutical compositions comprising compounds of Formulae (1), (2), (3), and (4), as well as methods of treating cognitive disorders, such as Alzheimer's disease. The invention further provides intermediates useful in preparing the compounds of Formulae (1), (2), (3), and (4).