N-methyl-2-pyrrolidinone+phenol | 1200-37-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N-methyl-2-pyrrolidinone+phenol
• 英文别名: NMP+phenol；1-Methylpyrrolidin-2-one;phenol
• CAS: 1200-37-9
• 化学式: C₅H₉NO*C₆H₆O
• 分子量: 193.246
• InChiKey: GKMURCWNXUWIDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基吡咯烷酮 、 苯酚 以 四氯化碳 为溶剂， 生成 N-methyl-2-pyrrolidinone+phenol
  参考文献：
  名称：

  Hydrogen-Bond Acidity of OH Groups in Various Molecular Environments (Phenols, Alcohols, Steroid Derivatives, and Amino Acids Structures): Experimental Measurements and Density Functional Theory Calculations

  摘要：

  The hydrogen-bond (H-bond) donating strengths of a series of 36 hydroxylic H-bond donors (HBDs) with N-methylpyrrolidinone have been measured in CCl4 solution by FTIR spectrometry. These data allow the definition of a H-bond acidity scale named pK(AHY) covering almost three pK units, corresponding to 16 kJ mol(-1). These results are supplemented by equilibrium constants determined in CH2Cl2 for one-third of the data set to study compounds showing a poor solubility in CCl4. A systematic comparison of these experimental results with theoretical data computed in the gas phase using DFT (density functional theory) calculations has also been carried out. Quantum electrostatic parameters appear to accurately describe the H-bond acidity of the hydroxyl group, whereas partial atomic charges according to the Merz-Singh-Kollman and CHelpG schemes are not suitable for this purpose. A substantial decrease of the H-bond acidity of the OH group is pointed out when the hydroxyl moiety is involved in intramolecular H-bond interactions. In such situations, the interactions are further characterized through AIM and NBO analyses, which respectively allow localizing the corresponding bond critical point and the quantification of a significant charge transfer from the available lone pair to the sigma(OH)* antibonding orbital. Eventually, the H-bond ability of the hydroxyl groups of steroid derivatives and of lateral chains of amino acids are evaluated on the basis of experimental and/or theoretical data.

  DOI：

  10.1021/jp410027h

文献信息

• Method for extraction of aromatic hydrocarbons from oils using a solvent mixture
  申请人：EXXON RESEARCH AND ENGINEERING COMPANY

  公开号：EP0231644A2

  公开（公告）日：1987-08-12

  Hydrocarbon oils, particularly petroleum oils, more particularly lube, transformer, white oil and other specialty oils can be extracted to remove aromatic hydrocarbon components therefrom using a combination polar extraction solvent, such as n-methyl pyrrolidone phenol or furfural, preferably NMP in combination with aliphatic-aromatics, polar naphthenes or morpholine, preferably alkylbenzene, mixed extraction solvent. The combination of polar extraction solvent and aliphatic-aromatic, polar naphthene or morpholine extraction solvent mixture contains and from 1 to up to but not including 10 LV% aliphatic-aromatic, polar naphthene or morpholine and mixtures thereof, preferably from 2.5 to less than 10% aliphatic-aromatic, polar naphthene or morpholine and from 0 to 10 LV% water, the amount of polar extraction solvent being suitably adjusted to reflect the presence of the water. Extraction using the combination solvent is conducted at a temperature above the haze point of the oil being extracted but at a tower bottoms temperature at least 30°C, and preferably 40°C, or more below the critical solution temperature of the feed-solvent mixture.

  烃类油，特别是石油油，尤其是润滑油、变压器油、白油和其它特种油，可以使用极性萃取溶剂，例如正甲基吡咯烷酮苯酚或糠醛，最好是 NMP，与脂肪族芳香烃、极性环烷烃或吗啉，最好是烷基苯，混合萃取溶剂一起萃取，以去除其中的芳香烃成分。 极性萃取溶剂与脂肪族芳香烃、极性环烷烃或吗啉萃取溶剂混合物的组合含有 1 至 10 LV%的脂肪族芳香烃、极性环烷烃或吗啉及其混合物，最好是 2.5 至小于 10%的脂肪族芳香烃、极性环烷烃或吗啉，以及 0 至 10 LV%的水，极性萃取溶剂的量可适当调整以反映水的存在。使用组合溶剂的萃取是在高于被萃取油混浊点的温度下进行的，但塔底温度至少要低于进料-溶剂混合物的临界溶液温度 30°C，最好是 40°C 或更低。
• Catalytic dewaxing process
  申请人：MOBIL OIL CORPORATION

  公开号：EP0304251A1

  公开（公告）日：1989-02-22

  A lubricant dewaxing process which is useful with difficult feeds, especially highly waxy feeds having parafin contents in excess of 25 weight percent or feeds with high nitrogen levels, employs two-step dewaxing in which the first stage is carried out under relatively mild conditions to obtain extended catalyst cycle life between successive reactivations with a constant temperature for the duration of each dewaxing cycle. The second stage dewaxing is carried out under conditions which maintain the target pour point for the product with a progressively increasing temperature during each dewaxing cycle. Preferably, the catalyst used is a zeolite without binders. More than one preliminary dewaxing stage may be provided in order to reduce severity in each stage with mild conditions and constant temperature being maintained in the preliminary steps. Using this process, extended catalyst cycle lives may be obtained with difficult feeds.

  一种润滑剂脱蜡工艺适用于难处理的进料，特别是对位芬含量超过 25% 的高蜡质进料或含氮量高的进料，该工艺采用两步脱蜡法，其中第一阶段在相对温和的条件下进行，以延长催化剂的循环寿命，并在每个脱蜡循环期间保持恒温。第二阶段脱蜡在保持产品目标倾点的条件下进行，在每个脱蜡周期内温度逐渐升高。最好使用不含粘合剂的沸石催化剂。可以提供一个以上的初步脱蜡阶段，以便在初步步骤中保持温和的条件和恒定的温度，降低每个阶段的严重程度。采用这种工艺，可以在进料困难的情况下延长催化剂的循环寿命。
• EP0231644A3
  申请人：——

  公开号：EP0231644A3

  公开（公告）日：1988-12-28
• US4909927A
  申请人：——

  公开号：US4909927A

  公开（公告）日：1990-03-20
• US4921593A
  申请人：——

  公开号：US4921593A

  公开（公告）日：1990-05-01