4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-1-phenyl-tridecan-1-ol | 606935-06-2

• 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: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-1-phenyl-tridecan-1-ol
• 英文别名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-1-phenyltridecan-1-ol；4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-1-phenyltridecan-1-ol
• CAS: 606935-06-2
• 化学式: C₁₉H₁₁F₂₁O
• 分子量: 654.262
• InChiKey: JYBFTQIESKSKPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-1-phenyl-tridecan-1-ol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以92%的产率得到4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-1-phenyl-tridecan-1-one
  参考文献：
  名称：

  Enantiomeric resolution of fluorous mixture by chiral CD columns: asymmetric reduction of a mixture of fluorous ketones

  摘要：

  Asymmetric reduction of a mixture of four fluorous ketone analogues was carried out with (R)-oxazaborolidine as a catalyst. The fluorous mixture products were resolved by a reverse phase HPLC with chiral beta-cyclodextrin column to result in good separation of the enantiomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01539-9
• 作为产物：
  描述：

  1,1,2,2-四氢全氟碘代十二烷 、 苯甲醛 在 magnesium 作用下， 以86%的产率得到4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-1-phenyl-tridecan-1-ol
  参考文献：
  名称：

  Enantiomeric resolution of fluorous mixture by chiral CD columns: asymmetric reduction of a mixture of fluorous ketones

  摘要：

  Asymmetric reduction of a mixture of four fluorous ketone analogues was carried out with (R)-oxazaborolidine as a catalyst. The fluorous mixture products were resolved by a reverse phase HPLC with chiral beta-cyclodextrin column to result in good separation of the enantiomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01539-9

文献信息

• Enantiomeric resolution of fluorous mixture by chiral CD columns: asymmetric reduction of a mixture of fluorous ketones
  作者：Yutaka Nakamura、Seiji Takeuchi、Kazuo Okumura、Yoshiaki Ohgo、Hiroshi Matsuzawa、Koichi Mikami

  DOI：10.1016/s0040-4039(03)01539-9

  日期：2003.8

  Asymmetric reduction of a mixture of four fluorous ketone analogues was carried out with (R)-oxazaborolidine as a catalyst. The fluorous mixture products were resolved by a reverse phase HPLC with chiral beta-cyclodextrin column to result in good separation of the enantiomers. (C) 2003 Elsevier Ltd. All rights reserved.