(Ss,Ss)-N-((1R)-1-(10-((E)-(tert-butylsulfinylimino)methyl)anthracen-9-yl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide | 1104003-93-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (Ss,Ss)-N-((1R)-1-(10-((E)-(tert-butylsulfinylimino)methyl)anthracen-9-yl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
• CAS: 1104003-93-1
• 化学式: C₂₅H₂₉F₃N₂O₂S₂
• 分子量: 510.645
• InChiKey: BJHNXBORESUMKM-IYHUGSEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.53
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.53
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (Ss,Ss)-N-((1R)-1-(10-((E)-(tert-butylsulfinylimino)methyl)anthracen-9-yl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide 、 (三氟甲基)三甲基硅烷 在 四丁基二氟三苯硅酸铵 作用下， 以5%的产率得到(Ss,Ss),-N,N'-(1R,1'R)-1,1'-(anthracene-9,10-diyl)bis(2,2,2-trifluoroethane-1,1-diyl)bis(2-methylpropane-2-sulfinamide)
  参考文献：
  名称：

  Preparation of (1R,1′R)-1,1′-(anthracene-9,10-diyl)bis(2,2,2-trifluoroethanamine): a chiral diamine with low basicity

  摘要：

  A new chiral diamine with low basicity was synthesized in enantiopure form. (1R,1'R)-1,1'-(Anthracene-9,10-diyl)bis(2,2,2-trifluoroethanamine) was obtained by means of several stereochemically controlled reactions. The structures of the title compound and several intermediates were studied. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.082
• 作为产物：
  描述：

  (E,E,Ss,Ss)-N,N'-(anthracene-9,10-diylbis(methan-1-yl-1-ylidene))bis(2-methylpropane-2-sulfinamide) 、 (三氟甲基)三甲基硅烷 在 四丁基二氟三苯硅酸铵 作用下， 以100%的产率得到(Ss,Ss)-N-((1R)-1-(10-((E)-(tert-butylsulfinylimino)methyl)anthracen-9-yl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
  参考文献：
  名称：

  Preparation of (1R,1′R)-1,1′-(anthracene-9,10-diyl)bis(2,2,2-trifluoroethanamine): a chiral diamine with low basicity

  摘要：

  A new chiral diamine with low basicity was synthesized in enantiopure form. (1R,1'R)-1,1'-(Anthracene-9,10-diyl)bis(2,2,2-trifluoroethanamine) was obtained by means of several stereochemically controlled reactions. The structures of the title compound and several intermediates were studied. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.082