3-(pyridin-2-ylmethyl)cyclohexanone | 1167997-14-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(pyridin-2-ylmethyl)cyclohexanone
• 英文别名: 3-(Pyridin-2-ylmethyl)cyclohexan-1-one
• CAS: 1167997-14-9
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: ZSLMHPGZCRFLCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 甲酸 、 palladium diacetate 、 三乙胺 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以90%的产率得到3-(pyridin-2-ylmethyl)cyclohexanone
  参考文献：
  名称：

  通过顺序共轭添加芳基乙酸烯丙酯和Pd催化的脱羧质子化方案，可方便地合成β-芳烷基环烷酮

  摘要：

  通过芳基乙酸烯丙酯与环烯酮的共轭加成反应以及随后的Pd催化的脱羧质子化策略，开发了一种合成β-芳烷基环烷酮的简便方法。

  DOI：

  10.1016/j.tetlet.2009.04.006

文献信息

• [EN] COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DU CANCER ET ÉPIGÉNÉTIQUE
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2017061957A1

  公开（公告）日：2017-04-13

  Compounds For Inhibition Of Cancer and Epigenesis The present invention relates to quinolines and 5,6,7,8-tetrahydroacridines of the formula (I) wherein Z1, Z2, X, R1 to R8 and Y are defined as described in the specification, or a pharmaceutically acceptable form or prodrug thereof, that are inhibitors of methyl transferases such as protein lysine methyltransferases and more particularly SMYD3. The present invention also relates to the methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of disorders/conditions/diseases involving, relating to or associated with enzymes having methyl transferase activities/functions and/or via unspecified/multi-targeted mechanisms.

  抑制癌症和表观遗传学的化合物。本发明涉及式(I)的喹啉和5,6,7,8-四氢喹啉，其中Z1、Z2、X、R1至R8和Y的定义如说明书中所述，或其药学上可接受的形式或前药，它们是甲基转移酶的抑制剂，如蛋白赖氨酸甲基转移酶，特别是SMYD3。本发明还涉及它们的制备方法，含有这些化合物的药物组合物，以及这些化合物在治疗涉及、与或与具有甲基转移酶活性/功能的酶或通过未指定/多靶向机制相关的紊乱/疾病/疾病的用途。
• Conjugate Addition of Lithiated Methyl Pyridines to Enones
  作者：Douglass F. Taber、Pengfei Guo、Michael T. Pirnot

  DOI：10.1021/jo100890s

  日期：2010.8.20

  Preparatively useful conjugate addition of lithiated methyl pyridines to cyclic and acyclic enones is reported. Addition of 2-picoline to 3-penten-2-one led to a concise synthesis of the alkaloids (+/-)-senepodine G and (+/-)-cermizine C.
• Concise Total Synthesis of (±)-Lycopladine A
  作者：John E. DeLorbe、Monica D. Lotz、Stephen F. Martin

  DOI：10.1021/ol100273p

  日期：2010.4.2

  A concise total synthesis of the Lycopodium alkaloid lycopladine A (1) is described that features sequential conjugate addition and enolate arylation reactions to construct the tricyclic core in two steps.
• COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS
  申请人：Agency for Science, Technology and Research

  公开号：EP3371151A1

  公开（公告）日：2018-09-12
• An expedient synthesis of β-aralkyl cycloalkanones via the sequential conjugate addition of allyl arylacetates and Pd-catalyzed decarboxylative protonation protocol
  作者：Se Hee Kim、Hyun Seung Lee、Sung Hwan Kim、Jae Nyoung Kim

  DOI：10.1016/j.tetlet.2009.04.006

  日期：2009.6

  An expedient protocol for the synthesis of β-aralkyl cycloalkanones was developed via the conjugate addition of allyl arylacetate to cycloalkenones and the following Pd-catalyzed decarboxylative protonation strategy.

  通过芳基乙酸烯丙酯与环烯酮的共轭加成反应以及随后的Pd催化的脱羧质子化策略，开发了一种合成β-芳烷基环烷酮的简便方法。