(-)-12,15-(2,2-dioxido-1,2,3-oxathiazinan-3-yl)-(N-nitroisoindolyl)dihydroabietylamine

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (-)-12,15-(2,2-dioxido-1,2,3-oxathiazinan-3-yl)-(N-nitroisoindolyl)dihydroabietylamine
• 英文别名: 2-[[(4R,4aR,12bS)-4,8,8,12b-tetramethyl-10,10-dioxo-2,3,4a,5,6,9-hexahydro-1H-naphtho[2,1-g][1,2,3]benzoxathiazin-4-yl]methyl]-5-nitroisoindole-1,3-dione
• 化学式: C28H31N3O7S
• 分子量: 553.6
• InChiKey: XULZUMBVAMGAGW-MXSCXNJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  39
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• GENERAL CATALYST FOR C-H FUNCTIONALIZATION
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20160272662A1

  公开（公告）日：2016-09-22

  The invention provides novel manganese catalysts such as [Mn( t BuPc)], which are general for the amination of all types of C(sp 3 )-H bonds (aliphatic, allylic, propargylic, benzylic, ethereal), including strong 1 o aliphatic C—H bonds, while achieving excellent chemoselectivity, stereospecificity, and high functional group tolerance. We demonstrate the late-stage diversification of bioactive complex molecules that encompass the range of C(sp 3 )-H bond types, such as selective 1 o C—H aminations of betulinic acid and pleuromutilin derivatives. The catalysts' unprecedented balance of reactivity and selectivity is in part attributed to its mechanism of C—H amination that lies between stepwise and concerted.

  该发明提供了新型的锰催化剂，如[Mn(tBuPc)]，适用于所有类型的C(sp3)-H键（脂肪族、烯丙基、丙炔基、苄基、乙醚基）的胺化，包括强1°脂肪族C—H键，同时实现优异的化学选择性、立体特异性和高官能团耐受性。我们展示了包括选择性1°C—H键胺化在内的生物活性复合分子的晚期多样化，这些复合分子涵盖了各种C(sp3)-H键类型，如对苯二酚酸和普鲁莫铁霉素衍生物的选择性1°C—H键胺化。催化剂在反应性和选择性之间的前所未有的平衡部分归因于其C—H键胺化机制介于逐步和协同之间。
• US9770711B2
  申请人：——

  公开号：US9770711B2

  公开（公告）日：2017-09-26