4-(3-(4-fluorophenyl)pentan-3-yl)phenyl trifluoromethanesulfonate | 1186337-23-4

• 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-(3-(4-fluorophenyl)pentan-3-yl)phenyl trifluoromethanesulfonate
• CAS: 1186337-23-4
• 化学式: C₁₈H₁₈F₄O₃S
• 分子量: 390.399
• InChiKey: NCOXHCNVXVYXKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.16
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(3-(4-fluorophenyl)pentan-3-yl)phenyl trifluoromethanesulfonate 、 tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-(2-tributylstannylethenyl)-1,3-dioxan-4-yl]acetate 在 bis-triphenylphosphine-palladium(II) chloride 、 三苯基膦 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Application of a 3,3-diphenylpentane skeleton as a multi-template for creation of HMG-CoA reductase inhibitors

  摘要：

  Based on our hypothesis that the 3,3-diphenylpentane (DPP) skeleton is useful as a multi-template for creation of various biologically active compounds and acts as a steroid skeleton substitute, we designed and synthesized novel HMG-CoA reductase inhibitors with a DPP skeleton. Among them, sodium (E,3R,5S)-7-(2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl)-3,5-dihydroxy-hept-6-enoate showed potent HMG-CoA reductase-inhibitory activity comparable with that of clinically useful mevastatin. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.100
• 作为产物：
  描述：

  三氟甲磺酸酐 、 4-(3-(4-fluorophenyl)pentan-3-yl)phenol 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-(3-(4-fluorophenyl)pentan-3-yl)phenyl trifluoromethanesulfonate
  参考文献：
  名称：

  Application of a 3,3-diphenylpentane skeleton as a multi-template for creation of HMG-CoA reductase inhibitors

  摘要：

  Based on our hypothesis that the 3,3-diphenylpentane (DPP) skeleton is useful as a multi-template for creation of various biologically active compounds and acts as a steroid skeleton substitute, we designed and synthesized novel HMG-CoA reductase inhibitors with a DPP skeleton. Among them, sodium (E,3R,5S)-7-(2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl)-3,5-dihydroxy-hept-6-enoate showed potent HMG-CoA reductase-inhibitory activity comparable with that of clinically useful mevastatin. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.100