2,5-dimethyl-5-phenylcyclohexenone | 908817-12-9

• 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: 2,5-dimethyl-5-phenylcyclohexenone
• 英文别名: 2,5-Dimethyl-5-phenylcyclohexan-1-one
• CAS: 908817-12-9
• 化学式: C₁₄H₁₈O
• 分子量: 202.296
• InChiKey: NDHKOMOLJAKCHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  2,5-dimethyl-5-phenylcyclohexenone 在 Selectfluor 、 三乙胺 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 、 正戊烷 为溶剂， 反应 2.0h， 生成 (+)-2-fluoro-2,5-dimethyl-5-phenylcyclohexanone
  参考文献：
  名称：

  Tri- and tetrasubstituted α-fluorocyclohexanones with enantiomeric excesses in the range of 97–100%

  摘要：

  The alpha -fluorinated trisubstituted ketones (2S,5R)-(-1-7-Ia. (2R,5R)-(+)-7-IIe. (2S,5R)-(-)-8-Ia and (2R.5R)-(+)-8-IIe were synthesised from (+)-dihydrocarvone (99%, (R)-configuration at C-5) and fully characterised. alpha -Fluorinated tetrasubstituted ketones (-)-9-Ia, (+)-9-Ia, (+)-9-IIa and (+)-10-Ia having e.e.s of greater than or equal to 97% were synthesised as racemates from 3-methyl cyclo-hexenone then resolved into the pure enantiomers using chiral HPLC and fully characterised. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(01)00118-5
• 作为产物：
  描述：

  3,6-dimethylcyclohex-2-enone 、 phenylmagnesium bromide 在 copper(I) bromide dimethylsulfide complex 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以84%的产率得到2,5-dimethyl-5-phenylcyclohexenone
  参考文献：
  名称：

  Tri- and tetrasubstituted α-fluorocyclohexanones with enantiomeric excesses in the range of 97–100%

  摘要：

  The alpha -fluorinated trisubstituted ketones (2S,5R)-(-1-7-Ia. (2R,5R)-(+)-7-IIe. (2S,5R)-(-)-8-Ia and (2R.5R)-(+)-8-IIe were synthesised from (+)-dihydrocarvone (99%, (R)-configuration at C-5) and fully characterised. alpha -Fluorinated tetrasubstituted ketones (-)-9-Ia, (+)-9-Ia, (+)-9-IIa and (+)-10-Ia having e.e.s of greater than or equal to 97% were synthesised as racemates from 3-methyl cyclo-hexenone then resolved into the pure enantiomers using chiral HPLC and fully characterised. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(01)00118-5

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。
• Tri- and tetrasubstituted α-fluorocyclohexanones with enantiomeric excesses in the range of 97–100%
  作者：Arlette Solladié-Cavallo、Loı̈c Jierry、Laëtitia Bouérat、Philippe Taillasson

  DOI：10.1016/s0957-4166(01)00118-5

  日期：2001.4

  The alpha -fluorinated trisubstituted ketones (2S,5R)-(-1-7-Ia. (2R,5R)-(+)-7-IIe. (2S,5R)-(-)-8-Ia and (2R.5R)-(+)-8-IIe were synthesised from (+)-dihydrocarvone (99%, (R)-configuration at C-5) and fully characterised. alpha -Fluorinated tetrasubstituted ketones (-)-9-Ia, (+)-9-Ia, (+)-9-IIa and (+)-10-Ia having e.e.s of greater than or equal to 97% were synthesised as racemates from 3-methyl cyclo-hexenone then resolved into the pure enantiomers using chiral HPLC and fully characterised. (C) 2001 Published by Elsevier Science Ltd.