(R)-(+)-4-methyloctan-2-one | 27608-01-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-(+)-4-methyloctan-2-one
• 英文别名: 4-methyloctan-2-one；4-methyl-2-octanone；4-Methyl-octan-2-on；β-Oxo-δ-methyl-octan；4-methyloctan-2-one-octyl
• CAS: 27608-01-1
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: YLMJOCWAOWDKBL-UHFFFAOYSA-N

物化性质

• 熔点：
  -18.52°C (estimate)
• 沸点：
  184.85°C (estimate)
• 密度：
  0.8258 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  (R)-(+)-4-methyloctan-2-one 、 异丙基溴化镁 在 水 、 氯化铵 作用下， 以 乙醚 为溶剂， 以18%的产率得到2,3,5-trimethylnonan-3-ol
  参考文献：
  名称：

  Making Mixtures to Solve Structures: Structural Elucidation via Combinatorial Synthesis

  摘要：

  A domino Horner-Wadsworth-Emmons olefination strategy has been used to prepare homologous series of (polyen)ones, and through combinatorial elaboration, corresponding families of highly branched hydrocarbons. Gas chromatography-mass spectrometry of the mixtures has enabled the rapid and unambiguous identification of several highly branched alkanes of geochemical importance. This is the first example of the use of combinatorial synthesis for the elucidation of structural connectivity.

  DOI：

  10.1021/cc900134t
• 作为产物：
  描述：

  4-butoxy-pent-2-ene 在 四甲基乙二胺 、 propyllithium 作用下， 以 正戊烷 为溶剂， 生成 (R)-(+)-4-methyloctan-2-one
  参考文献：
  名称：

  烷基烯丙基醚的wittig重排中的1，4-烷基转移

  摘要：

  DOI：

  10.1016/s0040-4039(01)87819-9

文献信息

• (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents
  申请人：——

  公开号：US20030092712A1

  公开（公告）日：2003-05-15

  Compounds described by the chemical formula (I) or a pharmaceutically acceptable salt thereof: 1 are inhibitors of p38 useful in the treatment of inflammatory diseases such as arthritis.

  根据化学公式(I)或其药物可接受的盐描述的化合物： 1 是p38的抑制剂，可用于治疗类风湿性关节炎等炎症性疾病。
• 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds
  申请人：——

  公开号：US20040024231A1

  公开（公告）日：2004-02-05

  The invention relates to 17&agr; fluoroalkyl steroids of the general formula (I). STEROID (I), wherein R 3 represents a group of the formula CnFmHo, wherein n=1, 2, 3, 4, 5 or 6, m>1 and m+o=2n+1. The invention further relates to methods for producing the same and to compositions that contain said compounds. The inventive composition of the general formula (I) possess androgenic activity. 1

  这项发明涉及一般式(I)的17α氟烷基类固醇。类固醇(I)，其中R3代表一种具有CnFmHo式的基团，其中n=1, 2, 3, 4, 5或6，m>1且m+o=2n+1。该发明还涉及生产这些类固醇的方法以及含有所述化合物的组合物。一般式(I)的这种创新组合物具有雄激素活性。
• On the Mechanism of the Copper-Catalyzed Enantioselective 1,4-Addition of Grignard Reagents to α,β-Unsaturated Carbonyl Compounds
  作者：Syuzanna R. Harutyunyan、Fernando López、Wesley R. Browne、Arkaitz Correa、Diego Peña、Ramon Badorrey、Auke Meetsma、Adriaan J. Minnaard、Ben L. Feringa

  DOI：10.1021/ja0585634

  日期：2006.7.19

  The mechanism of the enantioselective 1,4-addition of Grignard reagents to alpha,beta-unsaturated carbonyl compounds promoted by copper complexes of chiral ferrocenyl diphosphines is explored through kinetic, spectroscopic, and electrochemical analysis. On the basis of these studies, a structure of the active catalyst is proposed. The roles of the solvent, copper halide, and the Grignard reagent have

  通过动力学、光谱和电化学分析探索了由手性二茂二膦的铜配合物促进的格氏试剂对映选择性 1,4-加成到 α、β-不饱和羰基化合物的机制。在这些研究的基础上，提出了活性催化剂的结构。已经检查了溶剂、卤化铜和格氏试剂的作用。动力学研究支持将还原消除作为涉及手性催化剂、底物和格氏试剂的限速步骤。热力学活化参数由反应速率的温度依赖性确定。讨论了假定的活性物质和反应的催化循环。
• Novel tricyclic diazepines tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US20030008863A1

  公开（公告）日：2003-01-09

  This invention provides novel tricyclic diazepine compounds as well as methods and pharmaceutical compositions utilizing these compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including treatment of preterm labor, dysmenorrhea, endometritis, and for suppressing labor prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  这项发明提供了新颖的三环二氮杂平烯类化合物，以及利用这些化合物进行治疗和/或预防和/或抑制可能通过催产素拮抗剂活性得到缓解或减轻的疾病的方法和药物组合物，包括早产、经痛、子宫内膜炎的治疗，以及在剖宫产前抑制分娩。这些化合物还可用于提高农场动物的生育率、生存率和同步发情；并且可能在预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症（OCD）和神经精神障碍方面有用。
• Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors
  申请人：BAYER CORPORATION

  公开号：US20030216396A1

  公开（公告）日：2003-11-20

  This invention relates to urea compounds containing a pyridine, quinoline, or isoquinoline functionality which is oxidized at the nitrogen heteroatom and which are useful in the treatment of (i) raf mediated diseases, for example, cancer, (ii) p38 mediated diseases such as inflammation and osteoporosis, and (iii) VEGF mediated diseases such as angiogenesis disorders.

  本发明涉及含有吡啶、喹啉或异喹啉官能团的尿素化合物，该官能团在氮杂原子处被氧化，可用于治疗(i) 由raf介导的疾病，例如癌症，(ii) 由p38介导的疾病，如炎症和骨质疏松症，以及(iii) 由VEGF介导的疾病，如血管生成紊乱。