Carbamic acid, diethyl-,2-[(diethylamino)carbonyl]-3-(trimethylsilyl)-1-naphthalenyl ester | 141807-40-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Carbamic acid, diethyl-,2-[(diethylamino)carbonyl]-3-(trimethylsilyl)-1-naphthalenyl ester
• 英文别名: Diethyl-carbamic acid 2-diethylcarbamoyl-3-trimethylsilanyl-naphthalen-1-yl ester
• CAS: 141807-40-1
• 化学式: C₂₃H₃₄N₂O₃Si
• 分子量: 414.62
• InChiKey: CCYXPMBERZNKIF-UHFFFAOYSA-N

物化性质

• 沸点：
  535.4±50.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.71
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Carbamic acid, diethyl-,2-[(diethylamino)carbonyl]-3-(trimethylsilyl)-1-naphthalenyl ester 在 bis(acetylacetonate)nickel(II) 异丙基氯化镁 作用下， 以 乙醚 为溶剂， 生成 N,N-diethyl-3-trimethylsilylnaphthalene-2-carboxamide
  参考文献：
  名称：

  Nickel(0)-catalyzed cross coupling of aryl O-carbamates and aryl triflates with Grignard reagents. Directed ortho metalation-aligned synthetic methods for polysubstituted aromatics via a 1,2-dipole equivalent

  摘要：

  The first Ni(0)-catalyzed cross-coupling reactions of aryl O-carbamates and aryl triflates with Grignard reagents (Scheme I) to give diversely polysubstituted aromatics 2d and 2e (Table I) which feature regiospecificity based on directed ortho metalation (carbamate), minimal beta-hydride elimination (triflate), and dependence on steric and electronic effects are described.

  DOI：

  10.1021/jo00041a004
• 作为产物：
  描述：

  1-naphthyl N,N-diethylcarbamate 在 四甲基乙二胺 、 仲丁基锂 作用下， 生成 Carbamic acid, diethyl-,2-[(diethylamino)carbonyl]-3-(trimethylsilyl)-1-naphthalenyl ester
  参考文献：
  名称：

  Nickel(0)-catalyzed cross coupling of aryl O-carbamates and aryl triflates with Grignard reagents. Directed ortho metalation-aligned synthetic methods for polysubstituted aromatics via a 1,2-dipole equivalent

  摘要：

  The first Ni(0)-catalyzed cross-coupling reactions of aryl O-carbamates and aryl triflates with Grignard reagents (Scheme I) to give diversely polysubstituted aromatics 2d and 2e (Table I) which feature regiospecificity based on directed ortho metalation (carbamate), minimal beta-hydride elimination (triflate), and dependence on steric and electronic effects are described.

  DOI：

  10.1021/jo00041a004