(3-butyl-1-fluoro-4,5-dihydro-1H-borol-2-yl)-N,N-dimethylmethanamine | 1392331-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (3-butyl-1-fluoro-4,5-dihydro-1H-borol-2-yl)-N,N-dimethylmethanamine
• 英文别名: 1-(4-butyl-1-fluoro-2,3-dihydroborol-5-yl)-N,N-dimethylmethanamine
• CAS: 1392331-63-3
• 化学式: C₁₁H₂₁BFN
• 分子量: 197.104
• InChiKey: WZYABRVCOJQOJU-UHFFFAOYSA-N

物化性质

• 沸点：
  237.6±50.0 °C(Predicted)
• 密度：
  0.90±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-butyl-1-fluoro-4,5-dihydro-1H-borol-2-yl)-N,N-dimethylmethanamine 在 双氧水 、 sodium hydroxide 作用下， 以 正己烷 、 水 为溶剂， 反应 24.0h， 以62%的产率得到3-丁基二氢呋喃-2(3H)-酮
  参考文献：
  名称：

  Synthesis of substituted 2,3-dihydro-1H-boroles by transmetalation of aluminacyclopent-2-enes with BF3·Et2O

  摘要：

  A procedure was developed for selective synthesis of 4,5-dialkyl-1-fluoro-2,3-dihydro-1H-boroles via transmetalation of the corresponding aluminacyclopent-2-enes with BF3 center dot Et2O. 4,5-Dialkyl-1-fluoro-2,3-dihydro-1H-boroles were isolated as complexes with BEtF2. 4-Alkyl-5-dimethylaminomethyl-1-fluoro-2,3-dihydro-1H-boroles were synthesized for the first time.

  DOI：

  10.1134/s1070428012060024
• 作为产物：
  描述：

  在 三氟化硼乙醚 作用下， 以 正己烷 为溶剂， 以1.22 g的产率得到(3-butyl-1-fluoro-4,5-dihydro-1H-borol-2-yl)-N,N-dimethylmethanamine
  参考文献：
  名称：

  Synthesis of substituted 2,3-dihydro-1H-boroles by transmetalation of aluminacyclopent-2-enes with BF3·Et2O

  摘要：

  A procedure was developed for selective synthesis of 4,5-dialkyl-1-fluoro-2,3-dihydro-1H-boroles via transmetalation of the corresponding aluminacyclopent-2-enes with BF3 center dot Et2O. 4,5-Dialkyl-1-fluoro-2,3-dihydro-1H-boroles were isolated as complexes with BEtF2. 4-Alkyl-5-dimethylaminomethyl-1-fluoro-2,3-dihydro-1H-boroles were synthesized for the first time.

  DOI：

  10.1134/s1070428012060024