| 1256282-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1256282-02-6
• 化学式: C₈₀H₆₀N₁₂O₁₂Zn
• 分子量: 1446.82
• InChiKey: VDVRCURBCVMTHI-YHWFFDSRSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 n-辛基-β-D-吡喃葡萄糖苷 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Carbohydrate Recognition through H-Bonding and CH−π Interactions by Porphyrin-Based Receptors

  摘要：

  Porphyrin-based synthetic receptors containing urea, carbamate, or amide groups were designed and synthesized for carbohydrate recognition The receptors have equatorially and convergently directed hydrogen-bonding sites into which the urea, carbamate, or amide groups were introduced above the porphyrin plane The receptors exhibited remarkable affinities to pyranoside/furanoside derivatives in organic media, demonstrating not only the importance of multiple hydrogen-bonding interactions but also CH-pi interactions in carbohydrate recognition Among the three hydrogen-bonding groups, urea NHs were used as the strongest H-bonding donors for sugar hydroxyl oxygens, and the porphyrin plane was used for mimicking CH-pi interactions with sugar CHs, which are found in sugar-binding proteins The binding interactions between the artificial receptors and carbohydrates were elucidated by various spectroscopic analyses such as UV-vis titration, H-1 NMR titration, CD measurement, and computer-assisted modeling

  DOI：

  10.1021/jo101384u
• 作为产物：
  描述：

  在 zinc(II) acetate dihydrate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 24.0h， 以100%的产率得到
  参考文献：
  名称：

  Carbohydrate Recognition through H-Bonding and CH−π Interactions by Porphyrin-Based Receptors

  摘要：

  Porphyrin-based synthetic receptors containing urea, carbamate, or amide groups were designed and synthesized for carbohydrate recognition The receptors have equatorially and convergently directed hydrogen-bonding sites into which the urea, carbamate, or amide groups were introduced above the porphyrin plane The receptors exhibited remarkable affinities to pyranoside/furanoside derivatives in organic media, demonstrating not only the importance of multiple hydrogen-bonding interactions but also CH-pi interactions in carbohydrate recognition Among the three hydrogen-bonding groups, urea NHs were used as the strongest H-bonding donors for sugar hydroxyl oxygens, and the porphyrin plane was used for mimicking CH-pi interactions with sugar CHs, which are found in sugar-binding proteins The binding interactions between the artificial receptors and carbohydrates were elucidated by various spectroscopic analyses such as UV-vis titration, H-1 NMR titration, CD measurement, and computer-assisted modeling

  DOI：

  10.1021/jo101384u