N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-(2,6-dimethylphenyl)methanesulfonamide | 1039627-98-9

• 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-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-(2,6-dimethylphenyl)methanesulfonamide
• CAS: 1039627-98-9
• 化学式: C₂₂H₂₈N₂O₃S
• 分子量: 400.542
• InChiKey: YRVFLOYNOZLPDS-HXUWFJFHSA-N

物化性质

• 熔点：
  102-103 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
• 沸点：
  554.3±60.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,6-二甲基苄磺酰氯 、 苯胺,2-[(4S)-4-(1,1-二甲基乙基)-4,5-二氢-2-[口噁]唑基]- 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以84%的产率得到N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-(2,6-dimethylphenyl)methanesulfonamide
  参考文献：
  名称：

  Further Improvement on Sulfonamide-Based Ligand for Catalytic Asymmetric 2-Haloallylation and Allylation

  摘要：

  The sulfonamide-based ligand B was found to exhibit an outstanding crystallinity and perform well as a ligand for Cr-mediated catalytic asymmetric 2-haloallylation and allylation. The new ligand has an appealing advantage over the first generation ligand; its high crystallinity allows effective recovery of the ligand from a reaction in a pure form.

  DOI：

  10.1021/ol801093p
• 作为试剂：
  描述：

  3-bromo-2-iodoprop-1-ene 、 4-((tert-butyldiphenylsilyl)oxy)butanal 在 2,6-二甲基吡啶 、 锰 、 二氯二茂锆 、 酞菁钴 、 chromium(III) bromide 、 N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-(2,6-dimethylphenyl)methanesulfonamide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以85%的产率得到(R)-2-iodo-7-(tert-butyldiphenylsilanyloxy)-hept-1-en-4-ol
  参考文献：
  名称：

  Further Improvement on Sulfonamide-Based Ligand for Catalytic Asymmetric 2-Haloallylation and Allylation

  摘要：

  The sulfonamide-based ligand B was found to exhibit an outstanding crystallinity and perform well as a ligand for Cr-mediated catalytic asymmetric 2-haloallylation and allylation. The new ligand has an appealing advantage over the first generation ligand; its high crystallinity allows effective recovery of the ligand from a reaction in a pure form.

  DOI：

  10.1021/ol801093p

文献信息

• Further Improvement on Sulfonamide-Based Ligand for Catalytic Asymmetric 2-Haloallylation and Allylation
  作者：Zhiyu Zhang、Jian Huang、Bin Ma、Yoshito Kishi

  DOI：10.1021/ol801093p

  日期：2008.7.17

  The sulfonamide-based ligand B was found to exhibit an outstanding crystallinity and perform well as a ligand for Cr-mediated catalytic asymmetric 2-haloallylation and allylation. The new ligand has an appealing advantage over the first generation ligand; its high crystallinity allows effective recovery of the ligand from a reaction in a pure form.