(S)-allyl 5-(3-(3-methyl-3-(prop-2-ynyl)ureido)-4-(triisopropylsilyloxy)butyl)-4-tosylfuran-2-carboxylate

• 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: (S)-allyl 5-(3-(3-methyl-3-(prop-2-ynyl)ureido)-4-(triisopropylsilyloxy)butyl)-4-tosylfuran-2-carboxylate
• 英文别名: prop-2-enyl 4-(4-methylphenyl)sulfonyl-5-[(3S)-3-[[methyl(prop-2-ynyl)carbamoyl]amino]-4-tri(propan-2-yl)silyloxybutyl]furan-2-carboxylate
• 化学式: C₃₃H₄₈N₂O₇SSi
• 分子量: 644.905
• InChiKey: NWULBSGKBXHXCJ-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.53
• 重原子数：
  44
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 N-甲基炔丙基胺 以 苯 为溶剂， 反应 12.0h， 以37 mg的产率得到(S)-allyl 5-(3-(3-methyl-3-(prop-2-ynyl)ureido)-4-(triisopropylsilyloxy)butyl)-4-tosylfuran-2-carboxylate
  参考文献：
  名称：

  Macrocycloadditions Leading to Conformationally Restricted Small Molecules

  摘要：

  The Cu(I)-catalyzed cycloaddition of alkynes and azides (click reaction) provides a robust method for the construction of macrocyclic small molecules via an intramolecular macrocycloaddition. A three-subunit system has been used to explore the tolerance of this macrocycloaddition to variations of stereochemistries and substituents.

  DOI：

  10.1021/ol0604724

文献信息

• Macrocycloadditions Leading to Conformationally Restricted Small Molecules
  作者：Ryan E. Looper、Daniela Pizzirani、Stuart L. Schreiber

  DOI：10.1021/ol0604724

  日期：2006.5.1

  The Cu(I)-catalyzed cycloaddition of alkynes and azides (click reaction) provides a robust method for the construction of macrocyclic small molecules via an intramolecular macrocycloaddition. A three-subunit system has been used to explore the tolerance of this macrocycloaddition to variations of stereochemistries and substituents.