1,6-庚二烯-4-酮 | 53859-89-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,6-庚二烯-4-酮
• 英文名称: vinylmethyl ketone
• 英文别名: hepta-1,6-dien-4-one；1,6-heptadien-4-one；hept-1,6-dien-4-one；diallyl ketone
• CAS: 53859-89-5
• 化学式: C₇H₁₀O
• 分子量: 110.156
• InChiKey: PBZROIMXDZTJDF-UHFFFAOYSA-N

物化性质

• 熔点：
  83-84℃
• 沸点：
  40℃ (10 Torr)
• 密度：
  0.838±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,6-庚二烯-4-酮 在 sodiumsulfide nonahydrate 作用下， 以 水 、 甲苯 为溶剂， 反应 5.0h， 以29%的产率得到2,6-dimethyl-tetrahydro-thiopyran-4-one
  参考文献：
  名称：

  WO2008/118724

  摘要：

  公开号：
• 作为产物：
  描述：

  5-allyl-5-hydroxy-2,4,4-trimethyl-oct-7-en-3-one 生成 1,6-庚二烯-4-酮
  参考文献：
  名称：

  A Convenient Method for Utilizing the Allyl Grignard Reagent

  摘要：

  DOI：

  10.1021/jo01046a543

文献信息

• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES
  申请人：Arvinas, Inc.

  公开号：US20190151295A1

  公开（公告）日：2019-05-23

  The present disclosure relates to bifunctional compounds, which find utility as modulators of Interleukin-1 Receptor-Associated Kinase 4 (IRAK-4); the target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hppel-Lindau, cereblon, ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为白细胞介素-1受体相关激酶4（IRAK-4；目标蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合E3泛素连接酶的Von Hppel-Lindau、cereblon配体的双功能化合物，另一端结合目标蛋白的部分，使得目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• Tandem Catalysis:  The Sequential Mediation of Olefin Metathesis, Hydrogenation, and Hydrogen Transfer with Single-Component Ru Complexes
  作者：Janis Louie、Christopher W. Bielawski、Robert H. Grubbs

  DOI：10.1021/ja016431e

  日期：2001.11.1

  extensive use in olefin metathesis, it was also recently shown to be an effective precatalyst for mediating radical additions and hydrogenation reactions. We recently demonstrated all three reactions could be performed in tandem to afford well-defined block copolymers. Herein, we report that complex 1, or its more active derivative 2, is also useful in mediating a variety of other catalytic hydrogenation

  有机金属催化剂传统上被设计和优化以介导单一反应。然而，对方便有效的合成过程日益增长的需求需要开发能够直接或通过简单修饰催化多种机械不同反应的有机金属试剂。虽然 Ru 配合物 (PCy_3)_2Cl_2Ru= CHPh (1) 在烯烃复分解中得到了广泛的应用，但最近它也被证明是一种有效的预催化剂，用于介导自由基加成和加氢反应。我们最近证明了所有三个反应都可以串联进行，以提供明确定义的嵌段共聚物。在此，我们报告复合体 1，或其更活跃的衍生物 2，也可用于介导各种其他催化氢化反应，包括区域特异性酮和烯烃还原、酮的转移氢化和醇的脱氢氧化。此外，我们展示了各种用于快速构建小分子的“一锅”串联复分解加氢程序，包括 (R)-(-)-Muscone。
• Highly enantioselective carbonyl reduction with borane catalyzed by chiral spiroborate esters derived from chiral beta-aminoalcohols
  申请人：Ortiz-Marciales Margarita

  公开号：US20080200672A1

  公开（公告）日：2008-08-21

  Novel spiroborate esters derived from non-recemic 1,2-amino alcohols were examined as chiral catalyst in the borane reduction of acetophenone and other aromatic ketones at room temperature. The optically active alcohols were obtained in excellent chemical yields and up to 99% ee with less than 10% catalyst.

  从非手性1,2-氨基醇衍生的新型螺环硼酸酯作为手性催化剂在室温下用于苯乙酮和其他芳香酮的硼氢化还原反应。光学活性醇以极高的化学产率获得，ee值高达99%，催化剂用量不到10%。
• Process facilitating the regeneration of a catalyst based on a zeolite used in an acylation reaction, catalyst and use
  申请人：——

  公开号：US20020120169A1

  公开（公告）日：2002-08-29

  The present invention relates to a process facilitating the regeneration of a catalyst based on a zeolite, employed in an acylation reaction. Another subject of the invention is a process for acylation of an aromatic ether, comprising, in a preferred alternative form, an additional stage of regeneration of the catalyst. The process of the invention, which makes it possible to regenerate more easily a catalyst based on a zeolite, employed in an acylation reaction, is characterized in that the zeolite is modified by addition of an effective quantity of at least one metallic element M chosen from the elements of group 8 of the Periodic Classification of the elements.

  本发明涉及一种促进基于沸石的催化剂再生的过程，该催化剂用于酰化反应。 本发明的另一个主题是一种对芳香醚进行酰化的过程，包括在首选的替代形式中，对催化剂进行再生的额外阶段。 本发明的过程使得更容易再生基于沸石的催化剂，该催化剂用于酰化反应，其特征在于通过向沸石添加来自元素周期表第8族元素中至少一种金属元素M的有效数量来改性沸石。
• Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor
  申请人：Lynch K. John

  公开号：US20050209274A1

  公开（公告）日：2005-09-22

  The present invention is directed to compounds of formula (I), which antagonize of the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor which is useful for the prevention or treatment of eating disorders, weight gain, obesity, abnormalities in reproduction and sexual behavior, thyroid hormone secretion, diuresis and water/electrolyte homeostasis, sensory processing, memory, sleeping, arousal, anxiety, depression, seizures, neurodegeneration and psychiatric disorders.

  本发明涉及式(I)的化合物，通过对抗黑素浓集激素（MCH）的作用，通过对抗黑素浓集激素受体，有助于预防或治疗进食障碍、体重增加、肥胖、生殖和性行为异常、甲状腺激素分泌、利尿和水/电解质稳态、感觉处理、记忆、睡眠、觉醒、焦虑、抑郁、癫痫、神经退行性疾病和精神障碍。