(+/-)-(2,5-dimethyl-5-phenyl-cyclohexenyloxy)trimethylsilane | 357194-27-5

• 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-phenyl-cyclohexenyloxy)trimethylsilane
• CAS: 357194-27-5
• 化学式: C₁₇H₂₆OSi
• 分子量: 274.478
• InChiKey: UCROPEXYVPVOIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (+/-)-(2,5-dimethyl-5-phenyl-cyclohexenyloxy)trimethylsilane 在 Selectfluor 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (+)-2-fluoro-2,5-dimethyl-5-phenylcyclohexanone 、 (+)-2-fluoro-2,5-dimethyl-5-phenylcyclohexanone 、 (-)-2-fluoro-2,5-dimethyl-5-phenylcyclohexanone 、 (-)-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：

  三甲基氯硅烷 、 2,5-dimethyl-5-phenylcyclohexenone 在 三乙胺 、 sodium iodide 作用下， 以 乙腈 、 正戊烷 为溶剂， 以90%的产率得到(+/-)-(2,5-dimethyl-5-phenyl-cyclohexenyloxy)trimethylsilane
  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