[3-（环戊氧基）苯基]硼烷二醇 | 959850-87-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: [3-（环戊氧基）苯基]硼烷二醇
• 英文名称: [3-(CYCLOPENTYLOXY)PHENYL]BORANEDIOL
• 英文别名: (3-(Cyclopentyloxy)phenyl)boronic acid；(3-cyclopentyloxyphenyl)boronic acid
• CAS: 959850-87-4
• 化学式: C₁₁H₁₅BO₃
• mdl: MFCD11103730
• 分子量: 206.049
• InChiKey: CGJBKPGDQSBMIY-UHFFFAOYSA-N

物化性质

• 沸点：
  386.8±44.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  2-氯-3-硝基吡啶 、 [3-（环戊氧基）苯基]硼烷二醇 在 potassium carbonate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 0.07h， 以77.4%的产率得到
  参考文献：
  名称：

  Energy Efficiency in Chemical Reactions:  A Comparative Study of Different Reaction Techniques

  摘要：

  Metrics for chemists are much argued, but the energy usage of a reaction has to be one of the most simple and effective methods of comparing technologies. In this concept paper, the energy consumed in preparing one mole of a chemical compound is compared for a variety of technologies. Data are gathered for traditional oil bath, supercritical CO2 (SC-CO2), and microwave reactors. Two different Suzuki couplings, a Knoevenagel condensation, and a Friedel-Crafts acylation are all compared in both the microwave and oil bath, as this is where the most noticeable differences were observed. The most notable result was an 85-fold reduction in energy demand on switching from oil bath to microwave reactor for a Suzuki reaction.

  DOI：

  10.1021/op0498060