isopropyl 6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-azido-6-deoxy-2,3:4,5-di-O-isopropylidene-D-allonyl)-amino-D-allonyl)-amino-D-allonyl)-amino-D-allonate | 655248-01-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: isopropyl 6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-azido-6-deoxy-2,3:4,5-di-O-isopropylidene-D-allonyl)-amino-D-allonyl)-amino-D-allonyl)-amino-D-allonate
• 英文别名: propan-2-yl (4R,5R)-5-[(4R,5R)-5-[[[(4R,5R)-5-[(4R,5R)-5-[[[(4R,5R)-5-[(4R,5R)-5-[[[(4R,5R)-5-[(4R,5R)-5-(azidomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
• CAS: 655248-01-4
• 化学式: C₅₁H₈₂N₆O₂₁
• 分子量: 1115.24
• InChiKey: WANXSHJGZOAZNP-KAQIKJMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  78
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  276
• 氢给体数：
  3
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  isopropyl 6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-azido-6-deoxy-2,3:4,5-di-O-isopropylidene-D-allonyl)-amino-D-allonyl)-amino-D-allonyl)-amino-D-allonate 在 钯 氢气 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 生成 isopropyl 6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-amino-6-deoxy-2,3:4,5-di-O-isopropylidene-D-allonyl)-amino-D-allonyl)-amino-D-allonyl)-amino-D-allonate
  参考文献：
  名称：

  Towards hydroxylated nylon 6: oligomers from a protected 6-amino-6-deoxy-d-allonate

  摘要：

  The first synthesis of linear oligomers (a dimer, tetramer, hexamer and octamer) of fully hydroxylated analogues of nylon 6 by iterative formation of peptide bonds from a protected 6-amino-6-deoxy-D-allonate monomer is reported. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.10.008
• 作为产物：
  描述：

  isopropyl 6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-azido-6-deoxy-2,3:4,5-di-O-isopropylidene-D-allonyl)-amino-D-allonate 在 sodium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 41.02h， 生成 isopropyl 6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-deoxy-2,3:4,5-di-O-isopropylidene-6-N-(6-azido-6-deoxy-2,3:4,5-di-O-isopropylidene-D-allonyl)-amino-D-allonyl)-amino-D-allonyl)-amino-D-allonate
  参考文献：
  名称：

  Towards hydroxylated nylon 6: oligomers from a protected 6-amino-6-deoxy-d-allonate

  摘要：

  The first synthesis of linear oligomers (a dimer, tetramer, hexamer and octamer) of fully hydroxylated analogues of nylon 6 by iterative formation of peptide bonds from a protected 6-amino-6-deoxy-D-allonate monomer is reported. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.10.008