tert-butyl n-butyl{(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl}carbamate | 1396514-51-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: tert-butyl n-butyl{(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl}carbamate
• CAS: 1396514-51-4
• 化学式: C₁₆H₃₂BNO₄
• 分子量: 313.245
• InChiKey: WTUJIHDNCRXTMU-UHFFFAOYSA-N

物化性质

• 沸点：
  349.3±21.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  48.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl n-butyl{(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl}carbamate 在 potassium hydrogen difluoride 作用下， 以 水 、 丙酮 为溶剂， 反应 0.5h， 以67%的产率得到potassium tert-butyl butyl{(trifluoroborato)methyl}carbamate
  参考文献：
  名称：

  Potassium Boc-Protected Secondary Aminomethyltrifluoroborates: Synthesis and Suzuki–Miyaura Cross-Coupling Reactions

  摘要：

  Seven potassium Boc-protected secondary aminomethyltrifluoroborates were prepared in a standardized two-step process. The Suzuki-Miyaura cross-coupling reaction was studied with this new class of nucleophiles, and a large variety of aryl and hetaryl chlorides provided the desired products in good to excellent yields, thereby allowing easy access to secondary aminomethyl substructures.

  DOI：

  10.1021/ol301955s
• 作为产物：
  描述：

  tert-butyl butylcarbamate 、 碘甲基硼酸频哪醇酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.17h， 以65%的产率得到tert-butyl n-butyl{(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl}carbamate
  参考文献：
  名称：

  Potassium Boc-Protected Secondary Aminomethyltrifluoroborates: Synthesis and Suzuki–Miyaura Cross-Coupling Reactions

  摘要：

  Seven potassium Boc-protected secondary aminomethyltrifluoroborates were prepared in a standardized two-step process. The Suzuki-Miyaura cross-coupling reaction was studied with this new class of nucleophiles, and a large variety of aryl and hetaryl chlorides provided the desired products in good to excellent yields, thereby allowing easy access to secondary aminomethyl substructures.

  DOI：

  10.1021/ol301955s