2-(4-methoxyphenoxy)ethyl (3,4,6-tri-O-acetyl-2-azido-2-deoxy-α-D-galactopyranosyl)-(1->3)-2-azido-4,6-O-benzylidene-2-deoxy-β-D-galactopyranoside | 1220097-93-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-methoxyphenoxy)ethyl (3,4,6-tri-O-acetyl-2-azido-2-deoxy-α-D-galactopyranosyl)-(1->3)-2-azido-4,6-O-benzylidene-2-deoxy-β-D-galactopyranoside
• CAS: 1220097-93-7
• 化学式: C₃₄H₄₀N₆O₁₄
• 分子量: 756.723
• InChiKey: IKKCLCMSNRKPDR-AWXNLYHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.82
• 重原子数：
  54.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  250.26
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  2-(4-methoxyphenoxy)ethyl (3,4,6-tri-O-acetyl-2-azido-2-deoxy-α-D-galactopyranosyl)-(1->3)-2-azido-4,6-O-benzylidene-2-deoxy-β-D-galactopyranoside 、 乙酸酐 在 10% Pd(OH)2 on carbon 、 氢气 、 吡啶 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以72%的产率得到2-(4-methoxyphenyl)-ethyl (2-acetamido-2-deoxy-α-D-galactopyranosyl)-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranoside
  参考文献：
  名称：

  Synthesis of Tri- and Disaccharide Fragments Related to the O-Antigen of Enteropathogenic Escherichia Coli O158

  摘要：

  Chemical synthesis of a tri- and a disaccharide related to the O-antigen of enteropathogenic E. coli O158 was achieved in high yield. In the disaccharide (2), one D-galactosamine unit is present in 1,2-cis-linked and the other is in the trans-orientation, and both of them were prepared from the same intermediate by tuning the reaction solvent. Yields were considerably high in all steps.

  DOI：

  10.1080/07328300903477804
• 作为产物：
  描述：

  2-(4-methoxyphenoxy)ethyl 3,4,6-tri-O-acetyl-2-azido-2-deoxy-β-D-galactopyranoside 在 三氟甲磺酸三甲基硅酯 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 2-(4-methoxyphenoxy)ethyl (3,4,6-tri-O-acetyl-2-azido-2-deoxy-α-D-galactopyranosyl)-(1->3)-2-azido-4,6-O-benzylidene-2-deoxy-β-D-galactopyranoside
  参考文献：
  名称：

  Synthesis of Tri- and Disaccharide Fragments Related to the O-Antigen of Enteropathogenic Escherichia Coli O158

  摘要：

  Chemical synthesis of a tri- and a disaccharide related to the O-antigen of enteropathogenic E. coli O158 was achieved in high yield. In the disaccharide (2), one D-galactosamine unit is present in 1,2-cis-linked and the other is in the trans-orientation, and both of them were prepared from the same intermediate by tuning the reaction solvent. Yields were considerably high in all steps.

  DOI：

  10.1080/07328300903477804