methyl N-{8-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl}carbamate | 1609158-98-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl N-{8-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl}carbamate
• CAS: 1609158-98-6
• 化学式: C₂₀H₁₃F₆NO₂
• 分子量: 413.319
• InChiKey: YIDSUHPPVIPLSB-UHFFFAOYSA-N

物化性质

• 沸点：
  402.1±45.0 °C(predicted)
• 密度：
  1.399±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.72
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  methyl N-{8-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl}carbamate 在 水 、 potassium hydroxide 作用下， 反应 12.0h， 以46%的产率得到8-(3,5-bis(trifluoromethyl)phenyl)naphthalen-1-amine
  参考文献：
  名称：

  Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline “Polyethylene” from α-Olefins by Combining Two Rare Catalytic Events

  摘要：

  While traditional polymerization of linear alpha-olefins (LAOs) typically provides amorphous, low T-g polymers, chain-straightening polymerization represents a route to semicrystalline materials. A series of alpha-diimine nickel catalysts were tested for the polymerization of various LAOs. Although known systems yielded amorphous or low-melting polymers, the "sandwich" alpha-diimines 3-6 yielded semicrystalline "polyethylene" comprised primarily of unbranched repeat units via a combination of uncommon regioselective 2,1-insertion and precision chain-walking events.

  DOI：

  10.1021/ja502130w
• 作为产物：
  描述：

  methyl N-{8-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl}-N-[(pyridin-2-yl)carbonyl]carbamate 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以89%的产率得到methyl N-{8-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl}carbamate
  参考文献：
  名称：

  Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline “Polyethylene” from α-Olefins by Combining Two Rare Catalytic Events

  摘要：

  While traditional polymerization of linear alpha-olefins (LAOs) typically provides amorphous, low T-g polymers, chain-straightening polymerization represents a route to semicrystalline materials. A series of alpha-diimine nickel catalysts were tested for the polymerization of various LAOs. Although known systems yielded amorphous or low-melting polymers, the "sandwich" alpha-diimines 3-6 yielded semicrystalline "polyethylene" comprised primarily of unbranched repeat units via a combination of uncommon regioselective 2,1-insertion and precision chain-walking events.

  DOI：

  10.1021/ja502130w