2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide
• 化学式: C₁₇H₃₅N₅O₆
• 分子量: 405.5
• InChiKey: BIDUPMYXGFNAEJ-UHFFFAOYSA-N

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：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  193
• 氢给体数：
  6
• 氢受体数：
  10

文献信息

• Synthesis of Polyoxygenated Nitrogen Systems, Comprising Reactions Between Enamines of 1,3-Dioxan-5-Ones and Nitroolefins
  申请人：Alonso Alonso Ricardo

  公开号：US20080045523A1

  公开（公告）日：2008-02-21

  The invention relates to the synthesis of polyoxygenated nitrogen systems, comprising reactions between enamines of 1,3-dioxan-5-ones and nitroolefins. More specifically, the invention relates to the reaction between enamines having formula II which are derived from 1,3-dioxan-5-ones I and nitroolefins having formula III. In this way, novel polyoxygenated nitrogen systems are generated having formula IV and V, which, as they are or following simple transformations, constitute synthetic intermediates and/or analogues of different systems of proven biological/pharmacological interest, such as certain antibiotics, or tetrodotoxin, pancratistatin or the analogues thereof. The aforementioned reactions involve the use of enamines II in Michael-type addition reactions and in direct annealing processes with double acceptor systems at relative positions 1, 3. Said N acceptors include nitroolefins III, wherein R═CHO (alphanitroenals). The invention also relates to the preparation thereof, which is based on the oxidation of the corresponding precursor alcohols VII, and the use of same in annealing processes.