3,3-二甲基-2,6-庚二酮 | 106993-91-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,3-二甲基-2,6-庚二酮
• 英文名称: 3,3-Dimethyl-2,6-heptanedione
• 英文别名: 4,4-Dimethylheptan-1,5-dion；3,3-Dimethylheptane-2,6-dione
• CAS: 106993-91-3
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: QLDKILBHNXVUIX-UHFFFAOYSA-N

物化性质

• 沸点：
  236.3±23.0 °C(Predicted)
• 密度：
  0.911±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 三苯基膦 作用下， 以 氘代氯仿 为溶剂， 反应 1.0h， 生成 3,3-二甲基-2,6-庚二酮
  参考文献：
  名称：

  Exceptionally Stable Ozonides. Influence of Methyl Substituents on the Course of Cyclopentene Ozonolyses and on the Reactivities of Ozonides

  摘要：

  Ozonolyses of 1,2,3,3,4,4,5,5-octamethyl- (1a), 1,2,3,3,4,4,5-heptamethyl- (1b), and 1,2,3,3,4,4-hexamethyl cyclopentenes (1c) in methanol did not yield the ordinary hemiperacetals but gave the corresponding ozonides 6a-c instead. The ozonides 6a,b were extremely stable nd remained intact even when refluxed with triphenylphosphine in tetrahydrofuran. Cycloreversion of the primary ozonides from unsymmetrically substituted 1,2,3,3-tetramethylcyclopentene (1d) and 1,5,5-trimethylcyclopentene (1g) was highly regioselective to yield the intermediate omega-oxo carbonyl oxides with the geminal methyl groups remote from the carbonyl oxide groups.

  DOI：

  10.1021/jo00096a059

文献信息

• PRODRUGS OF GUANFACINE
  申请人：Whomsley Rhys

  公开号：US20110065796A1

  公开（公告）日：2011-03-17

  Prodrugs of guanfacine with amino acids or short peptides, pharmaceutical compositions containing such prodrugs and a method for providing therapeutic benefit in the treatment of ADHD/ODD (attention deficient hyperactivity disorder and oppositional defiance disorder) with guanfacine prodrugs are provided herein. Additionally, methods for minimizing or avoiding the adverse gastrointestinal side effects associated with guanfacine administration, as well as improving the pharmacokinetics of guanfacine are provided herein.

  本文提供了具有氨基酸或短肽的瓜那非辛前药、含有这种前药的药物组合物以及一种利用瓜那非辛前药在治疗注意力缺陷多动障碍/反抗性违抗障碍（ADHD/ODD）中提供治疗益处的方法。此外，本文还提供了减少或避免与瓜那非辛给药相关的不良胃肠道副作用的方法，以及改善瓜那非辛的药代动力学的方法。
• USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS
  申请人：Franklin Richard

  公开号：US20120202756A1

  公开（公告）日：2012-08-09

  The present invention relates to prodrugs of a wide variety of drugs and pharmaceutical compositions containing such prodrugs. Methods for minimizing locally mediated (from within the gut lumen) adverse gastrointestinal events associated with the underivatised drug and increasing the sustainment of plasma drug levels with the aforementioned prodrugs are also provided. Thus, the present invention relates to the use of prodrugs of a wide diversity of drugs (other than opioids) to transiently inactivate them and so reduce directly, locally mediated adverse gastrointestinal (GI) side-effects normally evident after administration of the parent compound. Additionally, such prodrugs may confer improved pharmacokinetics.

  本发明涉及各种药物的前药和含有这些前药的制药组合物。还提供了一种方法，用于最小化与未衍生药物相关的局部介导（来自肠腔内）不良胃肠事件，并使用上述前药增加血浆药物水平的持续性。因此，本发明涉及使用各种药物（除阿片类药物外）的前药，以短暂地使它们失活，从而减少通常在给予原始化合物后出现的直接、局部介导的不良胃肠（GI）副作用。此外，这些前药可能提供改善的药代动力学。
• HCV/HIV inhibitors and their uses
  申请人：Novartis AG

  公开号：EP2518079A2

  公开（公告）日：2012-10-31

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of HCV and associated disorders.

  本申请介绍了可用于治疗、预防和/或改善丙型肝炎病毒及相关疾病的有机化合物。
• Une méthode simple et efficace de préparation de composés dicarbonylés-1,5
  作者：Pierre Duhamel、Laurent Hennequin、Nelly Poirier、Jean-Marie Poirier

  DOI：10.1016/s0040-4039(00)95052-4

  日期：1985.1
• DUHAMEL, P.;HENNEQUIN, L.;POIRIER, N.;POIRIER, J. -M., TETRAHEDRON LETT., 1985, 26, N 50, 6201-6204
  作者：DUHAMEL, P.、HENNEQUIN, L.、POIRIER, N.、POIRIER, J. -M.

  DOI：——

  日期：——