(1S,5S,7R)-3-[(1S,5S,7R)-3-((1S,5S,7R)-3-Benzyl-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl)-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carboxylic acid | 318473-85-7

• 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: (1S,5S,7R)-3-[(1S,5S,7R)-3-((1S,5S,7R)-3-Benzyl-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl)-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carboxylic acid
• CAS: 318473-85-7
• 化学式: C₂₅H₂₉N₃O₁₀
• 分子量: 531.519
• InChiKey: RXJUCTLBFVGIOG-KTYCUIDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  38.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  136.54
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  methyl (1S,5S,7R)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate 、 (1S,5S,7R)-3-[(1S,5S,7R)-3-((1S,5S,7R)-3-Benzyl-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl)-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carboxylic acid 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以50%的产率得到methyl (1S,5S,7R)-3-[(1S,5S,7R)-3-[(1S,5S,7R)-3-[(1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
  参考文献：
  名称：

  Oligomers of Enantiopure Bicyclic γ/δ-Amino Acids (BTAa). 1. Synthesis and Conformational Analysis of 3-Aza-6,8-dioxabicyclo[3.2.1]octane-7-carboxylic Acid Oligomers (PolyBTG)

  摘要：

  A series of dimeric through pentameric oligomers of a bicyclic gamma/delta -amino acid (BTG) were synthesized using peptide coupling methods in solution with PyBroP or HATU. The analysis of H-1 NMR and Co spectra suggests that these oligomers could have a partially ordered structure in alcohol solutions.

  DOI：

  10.1021/ol006548s
• 作为产物：
  描述：

  (1S,5S,7R)-3-((1S,5S,7R)-3-Benzyl-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl)-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carboxylic acid 在 lithium hydroxide 、 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (1S,5S,7R)-3-[(1S,5S,7R)-3-((1S,5S,7R)-3-Benzyl-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl)-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-aza-bicyclo[3.2.1]octane-7-carboxylic acid
  参考文献：
  名称：

  Oligomers of Enantiopure Bicyclic γ/δ-Amino Acids (BTAa). 1. Synthesis and Conformational Analysis of 3-Aza-6,8-dioxabicyclo[3.2.1]octane-7-carboxylic Acid Oligomers (PolyBTG)

  摘要：

  A series of dimeric through pentameric oligomers of a bicyclic gamma/delta -amino acid (BTG) were synthesized using peptide coupling methods in solution with PyBroP or HATU. The analysis of H-1 NMR and Co spectra suggests that these oligomers could have a partially ordered structure in alcohol solutions.

  DOI：

  10.1021/ol006548s