4-Methyl-2-oxo-4-phenyl-cyclohexanecarboxylic acid methyl ester | 135616-24-9

• 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: 4-Methyl-2-oxo-4-phenyl-cyclohexanecarboxylic acid methyl ester
• 英文别名: Methyl 4-methyl-2-oxo-4-phenylcyclohexanecarboxylate；methyl 4-methyl-2-oxo-4-phenylcyclohexane-1-carboxylate
• CAS: 135616-24-9
• 化学式: C₁₅H₁₈O₃
• 分子量: 246.306
• InChiKey: HTQFFSPVWVGXMN-UHFFFAOYSA-N

物化性质

• 沸点：
  355.2±42.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Methyl-2-oxo-4-phenyl-cyclohexanecarboxylic acid methyl ester 在 sodium hydride 作用下， 以 乙醚 为溶剂， 反应 8.0h， 生成 (4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) 2,4-dimethyl-4-phenylcyclohexene-1-carboxylate
  参考文献：
  名称：

  Regioselective conversion of cycloalkanones to vinyl bromides with 1,2-functionality transposition. A general stratagem

  摘要：

  Cyclic beta-keto esters, available by regioselective acylation of cycloalkanone enolates, are rapidly transformed to alpha,beta-unsaturated acids. This functionality transposition allows the derived 3-hydroxy-4-methylthiazole-2-(3H)-thione derivatives to serve as precursors to synthetically useful vinyl bromides. The process involves heating the hydroxamate ester with AIBN in bromotrichloromethane solution. Alkylative and ring contractive variants of the methodology are highlighted. The short sequence makes available precursors to vinyl anions that are not otherwise conveniently accessible.

  DOI：

  10.1021/jo00021a044
• 作为产物：
  描述：

  氰基甲酸甲酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 生成 4-Methyl-2-oxo-4-phenyl-cyclohexanecarboxylic acid methyl ester
  参考文献：
  名称：

  WO2007/75749

  摘要：

  公开号：

文献信息

• Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment
  申请人：Raghavan Subharekha

  公开号：US20090062269A1

  公开（公告）日：2009-03-05

  The present invention encompasses compounds of Formula I: as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating atherosclerosis, dyslipidemias and the like. Pharmaceutical compositions and methods of use are also included.

  本发明涵盖了Formula I的化合物，以及其药用盐和水合物，可用于治疗动脉粥样硬化、血脂异常等疾病。药物组合物和使用方法也包括在内。
• [EN] BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER<br/>[FR] BENZOXAZÉPINES EN TANT QU'INHIBITEURS DE MTOR ET LEUR UTILISATION POUR TRAITER LE CANCER
  申请人：EXELIXIS INC

  公开号：WO2010135568A1

  公开（公告）日：2010-11-25

  The invention is directed to inhibitors of mTOR and pharmaceutically acceptable salts or solvates thereof, as well as methods of using them. The inhibitors are generally of structural formula : wherein the combination of R1 and R2 are as defined herein, and pharmaceutically acceptable salts thereof.

  这项发明涉及 mTOR 的抑制剂及其药用盐或溶剂，以及它们的使用方法。这些抑制剂通常具有以下结构式：其中 R1 和 R2 的组合如本文所定义，并且其药用盐。
• Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture
  申请人：Rice Kenneth D.

  公开号：US20140080810A1

  公开（公告）日：2014-03-20

  The invention is directed to Compounds of Formula I: (I) and pharmaceutically acceptable salts or solvates thereof, as well as methods of treating using the compounds, methods for screening for inhibitor compounds and methods for identifying treatment regimens.

  本发明涉及化合物I式：（I）及其药学上可接受的盐或溶剂化物，以及使用该化合物进行治疗的方法，筛选抑制剂化合物的方法和确定治疗方案的方法。
• BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES
  申请人：Exelixis, Inc.

  公开号：EP2432779A1

  公开（公告）日：2012-03-28
• BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE
  申请人：Exelixis, Inc.

  公开号：EP2640366A2

  公开（公告）日：2013-09-25