3-((N,N-二丙基氨基)甲基)苯硼酸频哪醇酯 | 1454653-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-((N,N-二丙基氨基)甲基)苯硼酸频哪醇酯
• 英文名称: N-propyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)propan-1-amine
• 英文别名: 3-((Di-n-propylamino)methyl)phenylboronic acid pinacol ester；N-propyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
• CAS: 1454653-70-3
• 化学式: C₁₉H₃₂BNO₂
• 分子量: 317.28
• InChiKey: MXESWGPVUNLWEC-UHFFFAOYSA-N

物化性质

• 沸点：
  401.0±28.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-羟甲基苯硼酸 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 sodium carbonate 、 双(2-二苯基磷苯基)醚 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 甲苯 为溶剂， 反应 26.0h， 生成 3-((N,N-二丙基氨基)甲基)苯硼酸频哪醇酯
  参考文献：
  名称：

  Synthesis of Amines with Pendant Boronic Esters by Borrowing Hydrogen Catalysis

  摘要：

  Amine alkylation reactions of alcohols have been performed in the presence of boronic ester groups to provide products which are known to have use as molecular sensors. The boronic ester moiety could be present in either the alcohol or amine starting material and was not compromised in the presence of a ruthenium catalyst.

  DOI：

  10.1021/ol402271a

文献信息

• Synthesis of Amines with Pendant Boronic Esters by Borrowing Hydrogen Catalysis
  作者：Winson M. J. Ma、Tony D. James、Jonathan M. J. Williams

  DOI：10.1021/ol402271a

  日期：2013.9.20

  Amine alkylation reactions of alcohols have been performed in the presence of boronic ester groups to provide products which are known to have use as molecular sensors. The boronic ester moiety could be present in either the alcohol or amine starting material and was not compromised in the presence of a ruthenium catalyst.