4-(1H-benzimidazol-2-ylamino)-4-oxobut-2-enoic acid | 54346-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-(1H-benzimidazol-2-ylamino)-4-oxobut-2-enoic acid
• 英文别名: N-(1H-benzoimidazol-2-yl)-maleamic acid；BAOBEA
• CAS: 54346-72-4
• 化学式: C₁₁H₉N₃O₃
• 分子量: 231.211
• InChiKey: BELAYBFWNJWZEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.1
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [tris(triphenylphosphine) ruthenium(III) trichloride] 、 4-(1H-benzimidazol-2-ylamino)-4-oxobut-2-enoic acid 以 丙酮 为溶剂， 以76%的产率得到RuCl2(PPh3)2(BAOBEA)
  参考文献：
  名称：

  Ru(III)-catalyzed oxidation of pyridoxine and albuterol in pharmaceuticals

  摘要：

  Ru(III) complexes with coordinated amide were synthesized and characterized by elemental, IR, mass, electronic, ESR spectral analysis, magnetic and conductance measurements and octahedral structures have been proposed. These complexes were used as catalysts for the oxidation of pyridoxine and albuterol in pharmaceuticals in presence of hydrogen peroxide. The role of co-oxidant and the effect of reaction time on the yields of oxidation products which were spectrophotometrically determined by condensing them with sulfanilic acid in acid medium were investigated. Structures of the oxidation products were established with the help of IR and NMR spectral analysis. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2008.07.035

文献信息

• Ru(III)-catalyzed oxidation of pyridoxine and albuterol in pharmaceuticals
  作者：More Ashok、Adapa V.S.S. Prasad、P. Muralidhar Reddy、Vadde Ravinder

  DOI：10.1016/j.saa.2008.07.035

  日期：2009.2

  Ru(III) complexes with coordinated amide were synthesized and characterized by elemental, IR, mass, electronic, ESR spectral analysis, magnetic and conductance measurements and octahedral structures have been proposed. These complexes were used as catalysts for the oxidation of pyridoxine and albuterol in pharmaceuticals in presence of hydrogen peroxide. The role of co-oxidant and the effect of reaction time on the yields of oxidation products which were spectrophotometrically determined by condensing them with sulfanilic acid in acid medium were investigated. Structures of the oxidation products were established with the help of IR and NMR spectral analysis. (C) 2008 Elsevier B.V. All rights reserved.