N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2,4,6-tri(propan-2-yl)benzenesulfonamide | 1561175-37-8

• 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: N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
• CAS: 1561175-37-8
• 化学式: C₂₃H₂₇F₆NO₄S₂
• 分子量: 559.594
• InChiKey: WKGMASWJPVHQRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  97.1
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2,4,6-三异丙基苯磺胺 、 3,5-二三氟甲基苯磺酰氯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 25.0h， 以95%的产率得到N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
  参考文献：
  名称：

  Iridium-Catalyzed Enantioselective Allyl–Alkene Coupling

  摘要：

  The direct Ir-catalyzed cross-coupling between branched, racemic allylic alcohols and simple olefins is described. This transformation is catalyzed by an Ir-(P,olefin) complex and proceeds with high site selectivity and excellent enantioselectivity. The method allows rapid access to various 1,5-dienes or trienes and was used in the catalytic asymmetric synthesis of the gamma-secretase modulator JNJ-40418677.

  DOI：

  10.1021/ja412962w
• 作为试剂：
  描述：

  1-苯基-2-丙烯-1-醇 、 亚甲基环己烷 在 5-(dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine 、 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2,4,6-tri(propan-2-yl)benzenesulfonamide 作用下， 以 氯仿 为溶剂， 反应 24.0h， 生成 (1-(cyclohex-1-en-1-yl)but-3-en-2-yl)benzene
  参考文献：
  名称：

  Iridium-Catalyzed Enantioselective Allyl–Alkene Coupling

  摘要：

  The direct Ir-catalyzed cross-coupling between branched, racemic allylic alcohols and simple olefins is described. This transformation is catalyzed by an Ir-(P,olefin) complex and proceeds with high site selectivity and excellent enantioselectivity. The method allows rapid access to various 1,5-dienes or trienes and was used in the catalytic asymmetric synthesis of the gamma-secretase modulator JNJ-40418677.

  DOI：

  10.1021/ja412962w

文献信息

• Iridium-Catalyzed Enantioselective Allyl–Alkene Coupling
  作者：James Y. Hamilton、David Sarlah、Erick M. Carreira

  DOI：10.1021/ja412962w

  日期：2014.2.26

  The direct Ir-catalyzed cross-coupling between branched, racemic allylic alcohols and simple olefins is described. This transformation is catalyzed by an Ir-(P,olefin) complex and proceeds with high site selectivity and excellent enantioselectivity. The method allows rapid access to various 1,5-dienes or trienes and was used in the catalytic asymmetric synthesis of the gamma-secretase modulator JNJ-40418677.