2-methyl-4-phenylcyclohexanone | 88958-99-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methyl-4-phenylcyclohexanone
• 英文别名: 2-methyl-4-phenylcyclohexan-1-one
• CAS: 88958-99-0
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: KTIRQKUKTFCXLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  2-methyl-4-phenylcyclohexanone 在 (羧甲基)三甲基氯化铵甲酯 作用下， 生成 2-Methyl-4-phenyl-cyclohexanol
  参考文献：
  名称：

  使用硅胶作为固体载体，通过 GIRARD 试剂选择性保护羰基化合物

  摘要：

  Girard's 试剂产生羰基化合物的水溶性衍生物，与硅胶一起用作它们在非水溶剂系统中的保护试剂。通过这种方法在竞争性还原中选择性地保护了较少受阻或更具反应性的羰基化合物。

  DOI：

  10.1246/cl.1983.1647
• 作为产物：
  描述：

  4-苯基环己酮 、 N,N-二甲基甲酰胺 在 ammonium peroxydisulfate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 作用下， 以 水 为溶剂， 反应 12.0h， 以43%的产率得到2-methyl-4-phenylcyclohexanone
  参考文献：
  名称：

  DMF as Carbon Source: Rh-Catalyzed α-Methylation of Ketones

  摘要：

  An unprecedented Rh-catalyzed direct methylation of ketones with N,N'-dimethylformamide (DMF) is disclosed. The reaction shows a broad substrate scope, tolerating both aryl and alkyl ketones with various substituents. Mechanistic studies suggest that DMF delivers a methylene fragment followed by a hydride in the methylation process.

  DOI：

  10.1021/ol403040g

文献信息

• [EN] TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE<br/>[FR] INHIBITEURS DE TRIAZOLOPYRIDINE DE LA MYÉLOPEROXYDASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017040450A1

  公开（公告）日：2017-03-09

  The present invention provides compounds of Formula (I): wherein A, Y and R1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了式（I）的化合物：其中A、Y和R1如规范中所定义，并包括任何此类新化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20200255403A1

  公开（公告）日：2020-08-13

  The present invention is directed to 5-alkyl pyrrolidine compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对促进睡眠素受体的激动剂的5-烷基吡咯烷化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进睡眠素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及促进睡眠素受体的疾病中的用途。
• Nucleophilic α-Arylation and α-Alkylation of Ketones by Polarity Inversion of N-Alkoxyenamines: Entry to the Umpolung Reaction at the α-Carbon Position of Carbonyl Compounds
  作者：Tetsuya Miyoshi、Takayuki Miyakawa、Masafumi Ueda、Okiko Miyata

  DOI：10.1002/anie.201004374

  日期：2011.1.24

  N‐alkoxyenamines from ketones has led to an efficient umpolung reaction. The alkylation of N‐alkoxyenamines with trialkylaluminum compounds proceeded smoothly and gave α‐alkylated ketones (see scheme). This reaction offers a simple transformation of ketones into α‐substituted ketones without the need to isolate enamines and intermediary imines.

  烯胺化学的一个新方面：由酮形成N烷氧基烯胺导致了有效的umpolung反应。的烷基化Ñ -alkoxyenamines与三烷基铝化合物顺利进行，给α -烷基化的酮（参见方案）。该反应无需分离烯胺和中间体亚胺，即可将酮简单地转化为α-取代的酮。
• Selective α-Methylation of Aryl Ketones Using Quaternary Ammonium Salts as Solid Methylating Agents
  作者：Johanna Templ、Michael Schnürch

  DOI：10.1021/acs.joc.1c03158

  日期：2022.3.18

  We describe the use of phenyl trimethylammonium iodide (PhMe3NI) as an alternative methylating agent for introducing a CH3 group in α-position to a carbonyl group. Compared to conventional methylating agents, quaternary ammonium salts have the advantages of being nonvolatile, noncancerogenic, and easy-to-handle solids. This regioselective method is characterized by ease of operational setup, use of

  我们描述了使用苯基三甲基碘化铵 (PhMe 3 NI) 作为替代甲基化剂将 α 位的 CH 3基团引入羰基。与常规甲基化剂相比，季铵盐具有不挥发、不致癌、易处理的优点。这种区域选择性方法的特点是易于操作设置，使用苯甲醚作为绿色溶剂，产率高达 85%。
• Triazolopyridine inhibitors of myeloperoxidase
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10316035B2

  公开（公告）日：2019-06-11

  The present invention provides compounds of Formula (I): wherein A, Y and R1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了式(I)化合物：其中A、Y和R1各自如说明书中所定义，以及包含任何此类新型化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。