1,3-dicyclohexyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide | 1192370-99-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 1,3-dicyclohexyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide
• CAS: 1192370-99-2
• 化学式: Br*C₁₆H₂₉N₂
• 分子量: 329.324
• InChiKey: IMKCHGSYDXNXIV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• 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 、 1,3-dicyclohexyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide 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-dicyclohexyl-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：

  N,N'-di-cyclohexylformamidine 、 1,3-二溴丙烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 1,3-dicyclohexyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide
  参考文献：
  名称：

  扩展环和功能化扩展环N-杂环卡宾在催化中的配体

  摘要：

  新的功能化6和7员NHC的合成（N-杂环卡宾）带有茴香基或 吡啶 ñ报道了对称和非对称取代的β-取代基。它们相应的铑（I）和铱（I）配合物，M（化学需氧量）（NHC）Cl，也进行了准备和表征。不寻常的铑（III）/铑（I） 盐， 的[Rh（η 2 -NHC-PY）2氯2 ]的[Rh（COD）氯2 ]使用吡啶基官能化的NHC配体之一获得。大多数配合物和NHC盐均已获得单晶X射线分析。这些配合物的活性在氢化 一系列带有分子的底物 氢， 包括 1-环辛二烯 和 2-甲基苯乙烯与非功能化的NHC类似物相比，它们在异常温和的条件下（环境温度和大气压）运行，显示出增强的活性和稳定性。

  DOI：

  10.1039/b909834h