| 1447451-56-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1447451-56-0
• 化学式: Br*C₁₈H₃₇N₂
• 分子量: 361.409
• InChiKey: LJDITZPVSVWKJH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  21.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  6.25
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  二氧化碳 、 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 1,3-di(heptan-4-yl)-5,6-dihydro-4H-pyrimidin-1-ium-2-carboxylate
  参考文献：
  名称：

  Anionic Ring-Opening Homo- and Copolymerization of Lactams by Latent, Protected N-Heterocyclic Carbenes for the Preparation of PA 12 and PA 6/12

  摘要：

  Laurolactam (LL) is polymerized in the bulk using strongly basic N-heterocyclic carbenes (NHCs) as initiators at temperatures of 180-200 degrees C to prepare the corresponding polyamide (PA 12). In-situ rheology of the polymerization progress reveals that an anionic mechanism is active, which is supported by the strong dependence of initiator activity on the basicity of the NHCs. GPC data and kinetic investigations show the process to be moderately controlled and fast, allowing high or quantitative yields in short polymerization times. Fifteen different NHC-CO2-adducts and NHC-metal complexes were used as thermally labile but room temperature stable NHC-precursors. Depending on the ring size and N-substituent, some of these protected NHCs allow forming a mixture of monomer and NHC-precursor that is suitable for long-term storage and readily polymerizable by simple heating. All polymerizations are executed without activator or other additives and thus represent a true one-component system for the production of PA 12. Finally, LL is copolymerized with epsilon-caprolactam (epsilon-CLA). It is found that a copolymer with a considerable gradient is formed, with epsilon-CLA being incorporated preferentially at the onset of the polymerization.

  DOI：

  10.1021/ma4018586
• 作为产物：
  描述：

  、 1,3-二溴丙烷 生成
  参考文献：
  名称：

  Anionic Ring-Opening Homo- and Copolymerization of Lactams by Latent, Protected N-Heterocyclic Carbenes for the Preparation of PA 12 and PA 6/12

  摘要：

  Laurolactam (LL) is polymerized in the bulk using strongly basic N-heterocyclic carbenes (NHCs) as initiators at temperatures of 180-200 degrees C to prepare the corresponding polyamide (PA 12). In-situ rheology of the polymerization progress reveals that an anionic mechanism is active, which is supported by the strong dependence of initiator activity on the basicity of the NHCs. GPC data and kinetic investigations show the process to be moderately controlled and fast, allowing high or quantitative yields in short polymerization times. Fifteen different NHC-CO2-adducts and NHC-metal complexes were used as thermally labile but room temperature stable NHC-precursors. Depending on the ring size and N-substituent, some of these protected NHCs allow forming a mixture of monomer and NHC-precursor that is suitable for long-term storage and readily polymerizable by simple heating. All polymerizations are executed without activator or other additives and thus represent a true one-component system for the production of PA 12. Finally, LL is copolymerized with epsilon-caprolactam (epsilon-CLA). It is found that a copolymer with a considerable gradient is formed, with epsilon-CLA being incorporated preferentially at the onset of the polymerization.

  DOI：

  10.1021/ma4018586