Trimethylsilyl bromodifluoroacetate | 1613293-20-1

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Trimethylsilyl bromodifluoroacetate
• 英文别名: trimethylsilyl 2-bromo-2,2-difluoroacetate
• CAS: 1613293-20-1
• 化学式: C₅H₉BrF₂O₂Si
• 分子量: 247.112
• InChiKey: SVYISSVHWRUJBW-UHFFFAOYSA-N

物化性质

• 沸点：
  114.8±40.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Trimethylsilyl bromodifluoroacetate 、 三苯基膦 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以85%的产率得到(difluoromethyl)triphenylphosphonium bromide
  参考文献：
  名称：

  Wittig gem-difluoroolefination of aldehydes with difluoromethyltriphenylphosphonium bromide

  摘要：

  Wittig reaction of aldehydes with difluoromethyltriphenylphosphonium bromide leading to gem-difluoroolefins in moderate yields is described. The reaction displays a good substrate scope including aryl, heteroaryl and alpha,beta-unsaturated aldehydes. Difluoromethyltriphenylphosphonium bromide could be easily prepared and stored for a long time under air atmosphere. The salt exhibits high thermal stability demonstrated by thermogravimetric analysis. Its structure was confirmed by NMR spectroscopy and single crystal X-ray analysis. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.04.011
• 作为产物：
  描述：

  三甲基氯硅烷 、 溴二氟乙酸钾 以90%的产率得到Trimethylsilyl bromodifluoroacetate
  参考文献：
  名称：

  Wittig gem-difluoroolefination of aldehydes with difluoromethyltriphenylphosphonium bromide

  摘要：

  Wittig reaction of aldehydes with difluoromethyltriphenylphosphonium bromide leading to gem-difluoroolefins in moderate yields is described. The reaction displays a good substrate scope including aryl, heteroaryl and alpha,beta-unsaturated aldehydes. Difluoromethyltriphenylphosphonium bromide could be easily prepared and stored for a long time under air atmosphere. The salt exhibits high thermal stability demonstrated by thermogravimetric analysis. Its structure was confirmed by NMR spectroscopy and single crystal X-ray analysis. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.04.011