tert-butyl 2-((4R,6S)-6-((E)-2-(2-cyclopropyl-6-fluoro-4,7-bis((4-fluorophenyl)thio)quinolin-3-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate | 1202383-32-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: tert-butyl 2-((4R,6S)-6-((E)-2-(2-cyclopropyl-6-fluoro-4,7-bis((4-fluorophenyl)thio)quinolin-3-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
• CAS: 1202383-32-1
• 化学式: C₃₈H₃₈F₃NO₄S₂
• 分子量: 693.851
• InChiKey: ZRQZFDBWOJGWSC-QDNMAPERSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.49
• 重原子数：
  48.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  57.65
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-((4R,6S)-6-((E)-2-(2-cyclopropyl-6-fluoro-4,7-bis((4-fluorophenyl)thio)quinolin-3-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到(4R,6S)-6-((E)-2-(2-cyclopropyl-6-fluoro-4,7-bis(4-fluorophenylthio)quinolin-3-yl)vinyl)-4-hydroxytetrahydro-2H-pyran-2-one
  参考文献：
  名称：

  Synthesis and HMG-CoA reductase inhibition of 2-cyclopropyl-4-thiophenyl-quinoline mevalonolactones

  摘要：

  A novel series of 2-cyclopropyl-4-thiophenyl quinoline-based mevalonolactones were synthesized from the substituted anilines by several reactions. Among them, (4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4-(4-fluoro-thiophenyl)-quinoline-3-yl)-ethenyl]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-one (1d), (4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4-(3-methoxy-thiophenyl)-quinoline-3-yl)-ethenyl]-3,4,5,6-tetra-hydro-4-hydroxy-2H-pyran-2-one (1f) and (4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4,7-di(3-methoxy-thiophenyl)-quinoline-3-yl)-ethenyl]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-one (1q) showed potent HMG-CoA reductase inhibitory activity comparable with pitavastatin. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.021
• 作为产物：
  描述：

  ((2-cyclopropyl-6-fluoro-4,7-bis((4-fluorophenyl)thio)quinolin-3-yl)methyl)diphenylphosphine oxide 、 (4R-cis)-6-醛基-2,2-二甲基-1,3-二氧己环-4-乙酸叔丁酯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以24%的产率得到tert-butyl 2-((4R,6S)-6-((E)-2-(2-cyclopropyl-6-fluoro-4,7-bis((4-fluorophenyl)thio)quinolin-3-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
  参考文献：
  名称：

  Synthesis and HMG-CoA reductase inhibition of 2-cyclopropyl-4-thiophenyl-quinoline mevalonolactones

  摘要：

  A novel series of 2-cyclopropyl-4-thiophenyl quinoline-based mevalonolactones were synthesized from the substituted anilines by several reactions. Among them, (4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4-(4-fluoro-thiophenyl)-quinoline-3-yl)-ethenyl]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-one (1d), (4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4-(3-methoxy-thiophenyl)-quinoline-3-yl)-ethenyl]-3,4,5,6-tetra-hydro-4-hydroxy-2H-pyran-2-one (1f) and (4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4,7-di(3-methoxy-thiophenyl)-quinoline-3-yl)-ethenyl]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-one (1q) showed potent HMG-CoA reductase inhibitory activity comparable with pitavastatin. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.021