3,4-dibromo-1-oxothiophene-2,5-dicarbaldehyde | 508170-24-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 3,4-dibromo-1-oxothiophene-2,5-dicarbaldehyde
• CAS: 508170-24-9
• 化学式: C₆H₂Br₂O₃S
• 分子量: 313.954
• InChiKey: WATNQGNHWRQOIV-UHFFFAOYSA-N

物化性质

• 沸点：
  274.9±40.0 °C(Predicted)
• 密度：
  2.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.36
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2,4-二溴-3,5-二甲基噻吩 以 甲醇 、 水 为溶剂， 反应 5.0h， 以30%的产率得到3,4-dibromo-2,5-dimethylthiophene-S-oxide
  参考文献：
  名称：

  Mass spectrometric study of heterogeneous catalytic monooxidation of the S-position of thiophenes with hydrogen peroxide

  摘要：

  A biomimetic catalytic reaction system is developed experimentally for heteromonooxidation of heteroaromatic compounds. The system consists of two interacting simultaneous reactions, decomposition of H2O2 and oxidation of the substrate. This leads to the synthesis, isolation, and identification of the S-monoxide of thiophenes.

  DOI：

  10.1134/s0036024409130330

文献信息

• The mechanism of the heterogeneous catalytic monooxidation of thiophene derivatives at the S position by hydrogen peroxide
  作者：I. T. Nagieva

  DOI：10.1134/s0036024409110119

  日期：2009.1

  A biomimetic catalytic reaction system for hetero-oriented monooxidation of heteroaromatic compounds was developed experimentally. The system consisted of two interacting synchronous reactions of the decomposition of H2O2 and substrate oxidation. The problem related to the preparation, isolation, and identification of thiophene derivative S-monoxides was solved.