tert-butyl N-[4-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxo-3-pyridin-2-ylpentanoyl]phenyl]carbamate | 1038516-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl N-[4-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxo-3-pyridin-2-ylpentanoyl]phenyl]carbamate
• CAS: 1038516-79-8
• 化学式: C₃₂H₃₇N₃O₆
• 分子量: 559.662
• InChiKey: CZMRGNZZMLIHBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[4-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxo-3-pyridin-2-ylpentanoyl]phenyl]carbamate 在 伯吉斯试剂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以80%的产率得到tert-butyl N-[4-[2-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]indolizin-1-yl]acetyl]phenyl]carbamate
  参考文献：
  名称：

  A Synthesis of N-Bridged 5,6-Bicylic Pyridines via A Mild Cyclodehydration Using the Burgess Reagent and Discovery of A Novel Carbamylsulfonylation Reaction

  摘要：

  Cyclodehydration using the Burgess reagent provided a novel approach toward the synthesis of N-bridged 5,6-bicylic pyridines including pyrolo-, imidazo-, and triazolopyridines under mild and neutral conditions. The methodology tolerates acid-sensitive functional groups. A novel addition product was observed between the resulting pyrrolo- or imidazopyridine and an additional equivalent of the Burgess reagent, producing the corresponding sulfonylcarbamate adduct.

  DOI：

  10.1021/ol8011748
• 作为产物：
  描述：

  吡啶-2-甲醛 、 4-乙酰基苯基氨基甲酸叔丁酯 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以45%的产率得到tert-butyl N-[4-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxo-3-pyridin-2-ylpentanoyl]phenyl]carbamate
  参考文献：
  名称：

  A Synthesis of N-Bridged 5,6-Bicylic Pyridines via A Mild Cyclodehydration Using the Burgess Reagent and Discovery of A Novel Carbamylsulfonylation Reaction

  摘要：

  Cyclodehydration using the Burgess reagent provided a novel approach toward the synthesis of N-bridged 5,6-bicylic pyridines including pyrolo-, imidazo-, and triazolopyridines under mild and neutral conditions. The methodology tolerates acid-sensitive functional groups. A novel addition product was observed between the resulting pyrrolo- or imidazopyridine and an additional equivalent of the Burgess reagent, producing the corresponding sulfonylcarbamate adduct.

  DOI：

  10.1021/ol8011748