(6aR,7R,10aS)-1,4-difluoro-10a-((4-(trifluoromethyl)phenyl)sulfonyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-7-carbaldehyde | 1237801-98-7

• 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: (6aR,7R,10aS)-1,4-difluoro-10a-((4-(trifluoromethyl)phenyl)sulfonyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-7-carbaldehyde
• CAS: 1237801-98-7
• 化学式: C₂₁H₁₇F₅O₄S
• 分子量: 460.422
• InChiKey: LBIDICZHPHKLIA-LCMPSIMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  60.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (6aR,7R,10aS)-1,4-difluoro-10a-((4-(trifluoromethyl)phenyl)sulfonyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-7-carbaldehyde 、 环丙胺 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Tricyclic sulfones as orally active γ-secretase inhibitors: Synthesis and structure–activity relationship studies

  摘要：

  Tricyclic sulfones were designed as gamma-secretase inhibitors and found to have excellent potency. Extensive SAR shows that a large number of sulfonamides at position 7 of the tricycle are very well tolerated. Compounds such as 15a and 15c showed remarkable in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.104
• 作为产物：
  描述：

  [(6aR,7R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-7-yl]methanol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到(6aR,7R,10aS)-1,4-difluoro-10a-((4-(trifluoromethyl)phenyl)sulfonyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-7-carbaldehyde
  参考文献：
  名称：

  Tricyclic sulfones as orally active γ-secretase inhibitors: Synthesis and structure–activity relationship studies

  摘要：

  Tricyclic sulfones were designed as gamma-secretase inhibitors and found to have excellent potency. Extensive SAR shows that a large number of sulfonamides at position 7 of the tricycle are very well tolerated. Compounds such as 15a and 15c showed remarkable in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.104