[Zr(O-t-Bu)3(1-hydroxy-7-azabenzotriazole-1H)(α,α-dideuteriobenzylamine)]2 | 862910-52-9

• 英文名称: [Zr(O-t-Bu)3(1-hydroxy-7-azabenzotriazole-1H)(α,α-dideuteriobenzylamine)]2
• CAS: 862910-52-9
• 化学式: C₄₈H₇₈N₁₀O₈Zr₂
• 分子量: 1109.63
• InChiKey: XHHZHMIOCWJNMZ-HUSQLUTISA-N

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：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  N-羟基-7-氮杂苯并三氮唑 、 苄胺-D2 、 zirconium(IV) tert-butoxide 以 氘代苯 为溶剂， 生成 [Zr(O-t-Bu)3(1-hydroxy-7-azabenzotriazole-1H)(α,α-dideuteriobenzylamine)]2
  参考文献：
  名称：

  Catalytic Ester−Amide Exchange Using Group (IV) Metal Alkoxide−Activator Complexes

  摘要：

  A process for preparation of amides from unactivated esters and amines has been developed using a catalytic system comprised of group (IV) metal alkoxides in conjunction with additives including 1-hydroxy-7-azabenzotriazole (HOAt). In general, ester-amide exchange proceeds using a variety of structurally diverse esters and amines without azeotropic reflux to remove the alcohol byproduct. Initial mechanistic studies on the Zr(Ot-Bu)(4)-HOAt system revealed that the active catalyst is a novel, dimeric zirconium complex as determined by X-ray crystallography.

  DOI：

  10.1021/ja0527976