(S)-6-cyclohexylpiperidin-2-one | 1296689-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (S)-6-cyclohexylpiperidin-2-one
• 英文别名: (S)-6-Cyclohexyl-piperidin-2-one；(6S)-6-cyclohexylpiperidin-2-one
• CAS: 1296689-53-6
• 化学式: C₁₁H₁₉NO
• 分子量: 181.278
• InChiKey: XDSFZEYORMNXCN-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (S)-6-cyclohexylpiperidin-2-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (2S)-2-cyclohexylpiperidine
  参考文献：
  名称：

  A stereoselective approach to 6-alkylated piperidinone & 2-piperidine via three-component vinylogous Mannich reactions (VMR) and a concise synthesis of (S)-anabasine

  摘要：

  A three-component diastereoselective vinylogous Mannich-type reaction (VMR) with the silyl ketene acetal (1) was developed. Adducts from the reactions provided valuable intermediates for construction of a variety of chiral 6-alkylated piperidinone and 2-piperidine compounds. The strategy was applied in a concise synthesis (S)-anabasine. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.090
• 作为产物：
  描述：

  5-环己基-5-氧代戊酸乙酯 在 palladium 10% on activated carbon 甲酸铵 、 四氯化钛 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.02h， 生成 (S)-6-cyclohexylpiperidin-2-one
  参考文献：
  名称：

  [EN] 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS DE THIOPHÈNE 2,3,5-TRISUBSTITUÉS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2012010663A9

文献信息

• 2,3,5-trisubstituted thiophene compounds and uses thereof
  申请人：Barnes David

  公开号：US09040690B2

  公开（公告）日：2015-05-26

  The present invention provides a compound of formula I: a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了公式I的化合物：发明化合物的制备方法及其治疗用途。本发明还提供了药理活性剂的组合和制药组合物。
• 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof
  申请人：Barnes David

  公开号：US20130123252A1

  公开（公告）日：2013-05-16

  The present invention provides a compound of formula I: a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种I式化合物，一种制造该化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合物和一种制药组合物。
• Design and synthesis of lactam–thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors
  作者：David Barnes-Seeman、Carri Boiselle、Christina Capacci-Daniel、Rajiv Chopra、Keith Hoffmaster、Christopher T. Jones、Mitsunori Kato、Kai Lin、Sue Ma、Guoyu Pan、Lei Shu、Jianling Wang、Leah Whiteman、Mei Xu、Rui Zheng、Jiping Fu

  DOI：10.1016/j.bmcl.2014.06.031

  日期：2014.8

  Herein we report the successful incorporation of a lactam as an amide replacement in the design of hepatitis C virus NS5B Site II thiophene carboxylic acid inhibitors. Optimizing potency in a replicon assay and minimizing potential risk for CYP3A4 induction led to the discovery of inhibitor 22a. This lead compound has a favorable pharmacokinetic profile in rats and dogs. (C) 2014 Elsevier Ltd. All rights reserved.
• 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF
  申请人：Novartis AG

  公开号：EP2595983A1

  公开（公告）日：2013-05-29
• US9040690B2
  申请人：——

  公开号：US9040690B2

  公开（公告）日：2015-05-26