2-tert-butoxycarbonylamino-3-[1-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yl)-1H-[1,2,3]triazol-4-yl]-propionic acid | 918162-40-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-tert-butoxycarbonylamino-3-[1-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yl)-1H-[1,2,3]triazol-4-yl]-propionic acid
• CAS: 918162-40-0
• 化学式: C₂₄H₃₄N₄O₁₃
• 分子量: 586.553
• InChiKey: DHMZQLRCGPPKEQ-NXMWLWCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  41.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  220.77
• 氢给体数：
  2.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  2-tert-butoxycarbonylamino-3-[1-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yl)-1H-[1,2,3]triazol-4-yl]-propionic acid 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以98%的产率得到2-tert-butoxycarbonylamino-3-[1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1H-[1,2,3]triazol-4-yl]-propionic acid
  参考文献：
  名称：

  “Click to Chelate”:  Synthesis and Installation of Metal Chelates into Biomolecules in a Single Step

  摘要：

  Click chemistry has been employed for the assembly of novel and efficient triazole-based multidentate chelating systems while simultaneously attaching them to molecules of biological interest. The "click-to-chelate" approach offers a powerful new tool for the modification of (bio)molecules with metal chelators for potential diagnostic and therapeutic applications.

  DOI：

  10.1021/ja066779f
• 作为产物：
  描述：

  Boc-L-炔丙基甘氨酸 、 1-叠氮-1-脱氧-β-D-吡喃半乳糖苷四乙酸酯 在 copper diacetate sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 以74%的产率得到2-tert-butoxycarbonylamino-3-[1-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yl)-1H-[1,2,3]triazol-4-yl]-propionic acid
  参考文献：
  名称：

  “Click to Chelate”:  Synthesis and Installation of Metal Chelates into Biomolecules in a Single Step

  摘要：

  Click chemistry has been employed for the assembly of novel and efficient triazole-based multidentate chelating systems while simultaneously attaching them to molecules of biological interest. The "click-to-chelate" approach offers a powerful new tool for the modification of (bio)molecules with metal chelators for potential diagnostic and therapeutic applications.

  DOI：

  10.1021/ja066779f

文献信息

• WO2007/147482
  申请人：——

  公开号：——

  公开（公告）日：——