3(2H)-Benzoxazolecarboxamide, N-butyl-2-oxo- | 143207-32-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 3(2H)-Benzoxazolecarboxamide, N-butyl-2-oxo-
• 英文别名: N-butyl-2-oxo-1,3-benzoxazole-3-carboxamide
• CAS: 143207-32-3
• 化学式: C₁₂H₁₄N₂O₃
• 分子量: 234.255
• InChiKey: VAWTXJAARVWUBM-UHFFFAOYSA-N

物化性质

• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-苯并唑啉酮 、 异氰酸正丁酯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.75h， 以50%的产率得到3(2H)-Benzoxazolecarboxamide, N-butyl-2-oxo-
  参考文献：
  名称：

  Aminolyse de carbamates cycliques analogues de la carboxybiotine ; catalyse métallique et modélisation de transfert de carboxyle

  摘要：

  Aminolysis of carbamic esters, a model of the intermediate carboxybiotin in enzymatic carboxylations was studied in organic medium in the presence of a divalent cation. This study establishes electrostatic catalysis of aminolysis, the rate determining step of which is the collapse of the tetrahedral intermediate principally by carbon-nitrogen bond breacking. The results also account for the role of the divalent cation present in the carboxytransferase subunit of carboxylases.

  DOI：

  10.1016/s0040-4020(01)90121-8

文献信息

• Aminolyse de carbamates cycliques analogues de la carboxybiotine ; catalyse métallique et modélisation de transfert de carboxyle
  作者：Jean-Marie Botella、Alain Klaebe、Jacques Perie、Eric Monnier

  DOI：10.1016/s0040-4020(01)90121-8

  日期：1992.1

  Aminolysis of carbamic esters, a model of the intermediate carboxybiotin in enzymatic carboxylations was studied in organic medium in the presence of a divalent cation. This study establishes electrostatic catalysis of aminolysis, the rate determining step of which is the collapse of the tetrahedral intermediate principally by carbon-nitrogen bond breacking. The results also account for the role of the divalent cation present in the carboxytransferase subunit of carboxylases.