2,3,4,6,7,8-六氢吡咯并[1,2-a]嘧啶乙酸酯

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 中文名称: 2,3,4,6,7,8-六氢吡咯并[1,2-a]嘧啶乙酸酯
• 英文名称: 1,5-diazabicyclo[4.3.0]non-5-enium acetate
• 英文别名: 1,5-Diazabicyclo[4.3.0]non-5-enium acetate；3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-5-ium;acetate
• 化学式: C₂H₄O₂*C₇H₁₂N₂
• 分子量: 184.238
• InChiKey: OMAXTNHYQWXDRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.98
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,4,6,7,8-六氢吡咯并[1,2-a]嘧啶乙酸酯 在 硫酸 、 水 作用下， 反应 1.83h， 生成 3-(aminopropyl)-2-pyrrolidonium acetate
  参考文献：
  名称：

  Sustainability of cellulose dissolution and regeneration in 1,5-diazabicyclo[4.3.0]non-5-enium acetate: a batch simulation of the IONCELL-F process

  摘要：

  在IONCELL-F过程中，进行[DBNH][OAc]回收和再利用的实验室批处理模拟，为优化回收过程提供未来方向。

  DOI：

  10.1039/c5ra12386k
• 作为产物：
  描述：

  1,5-二氮杂双环[4.3.0]壬-5-烯 、 溶剂黄146 反应 0.5h， 生成 2,3,4,6,7,8-六氢吡咯并[1,2-a]嘧啶乙酸酯
  参考文献：
  名称：

  Sustainability of cellulose dissolution and regeneration in 1,5-diazabicyclo[4.3.0]non-5-enium acetate: a batch simulation of the IONCELL-F process

  摘要：

  在IONCELL-F过程中，进行[DBNH][OAc]回收和再利用的实验室批处理模拟，为优化回收过程提供未来方向。

  DOI：

  10.1039/c5ra12386k

文献信息

• Superbase ionic liquids for effective cellulose processing from dissolution to carbonisation
  作者：Olga Kuzmina、Jyoti Bhardwaj、Sheril Rizal Vincent、Nandula Dasitha Wanasekara、Livia Mariadaria Kalossaka、Jeraime Griffith、Antje Potthast、Sameer Rahatekar、Stephen James Eichhorn、Tom Welton

  DOI：10.1039/c7gc02671d

  日期：——

  A range of superbase derived ionic liquids (SILs) was synthesised and characterised. Their ability to dissolve cellulose and the characteristics of the produced fibres were correlated to their specific structural and solvent properties. 17 ionic liquids (ILs) (including 9 novel) were analysed and six ILs were selected to produce fibres: 1-ethyl-3-methylimidazolium acetate [C2C1im][OAc], 1-ethyl-3-methylimidazolium

  合成并表征了一系列超碱衍生的离子液体（SIL）。它们的溶解纤维素的能力和生产的纤维的特性与其特定的结构和溶剂特性相关。分析了17种离子液体（包括9种新型离子液体），并选择了6种离子液体来生产纤维：乙酸1-乙基-3-甲基咪唑鎓[C 2 C 1 im] [OAc]，1-乙基-3-甲基咪唑鎓二乙基磷酸[C 2 C 1im] [DEP]和SILs 1-乙基-1,8-二氮杂双环[5.4.0]十一碳-7-烯丙基磷酸二乙酯[DBUEt] [DEP]，1,8-二氮杂双环[5.4.0] undec-7-烯丙基乙酸酯[DBUH] [OAc]，1,5-二氮杂双环[4.3.0]非5-en乙酸酯[DBNH] [OAc]和1-乙基-1,5-二氮杂双环[4.3.0]非-5-en磷酸二乙酯[DBNEt] [DEP]。研究了这些纤维的机械性能。然后将获得的纤维碳化，以探索其作为碳纤维前体的可能应用。使用基于1,5-二氮杂双环[4
• Vaporization of protic ionic liquids derived from organic superbases and short carboxylic acids
  作者：Filipe M. S. Ribeiro、Carlos F. R. A. C. Lima、Inês C. M. Vaz、Ana S. M. C. Rodrigues、Erlin Sapei、André Melo、Artur M. S. Silva、Luís M. N. B. F. Santos

  DOI：10.1039/c7cp02023f

  日期：——

  evaluation of the phase behaviour and cohesive enthalpy of protic ionic liquids (PILs) composed of 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) or 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) organic superbases with short-chain length (acetic, propionic and butyric) carboxylic acids. Glass transition temperatures, Tg, and enthalpies of vaporization, ΔHvap, were measured for six [BH][A] (1:1) PILs (B = DBN, DBU;

  这项工作提出了由1,5-二氮杂双环[4.3.0] non-5-ene（DBN）或1,8-二氮杂双环[5.4.0]组成的质子离子液体（PIL）的相行为和内聚焓的综合评估。具有短链长度（乙酸，丙酸和丁酸）羧酸的十一碳七烯（DBU）有机超碱。测量了六个[BH] [A]（1 ：1）PIL（B = DBN，DBU； A = MeCOO，EtCOO，nPrCOO）的玻璃化转变温度T g和汽化焓ΔH vap，显示了更多碱中的–CH 2 –基团的数量比酸中的数量显着增加。ΔH vap的大小有证据表明，液体PIL中离子的比例很高，尽管结果还表明，在DBN PIL中，中性物质的浓度不可忽略。在气相中，这些PIL以离子对和孤立的中性物质的分布形式存在，其形态取决于温度和压力条件-在高温和低压下，分离的中性物质占主导地位。DBU PIL的T g和ΔH vap较高是因为DBU的碱性更强（由NMR和计算支持），这增加
• Cellulose-dissolving protic ionic liquids as low cost catalysts for direct transesterification reactions of cellulose
  作者：Hideki Hanabusa、Ekaterina I. Izgorodina、Shiori Suzuki、Yuko Takeoka、Masahiro Rikukawa、Masahiro Yoshizawa-Fujita

  DOI：10.1039/c7gc03603e

  日期：——

  petroleum-derived resins from the viewpoint of green chemistry. Therefore, the acetylation of cellulose is one of the most important subjects in cellulose research. In this study, we found that the acetylation of cellulose could proceed in some protic ionic liquids (PILs) composed of amidine and acetic acid with ΔpKa = ca. 8.4–8.7 under mild conditions without any catalyst. The degree of substitution (DS) of

  醋酸纤维素（CA）是衍生自生物质的树脂。从绿色化学的观点来看，CA除了具有各种优异的性能外，还优于现有的石油衍生树脂。因此，纤维素的乙酰化是纤维素研究中最重要的课题之一。在这项研究中，我们发现，纤维素的乙酰化可以在脒和乙酸与ΔP组成一些质子型离子液体（比尔森）进行ķ一个=约 8.4–8.7，在温和条件下，无任何催化剂。取代的（DS）所产生的CA度为1.84以上，并且最大DS为2.87，当ΔP ķ一个的PIL约为8.5。在基于丙酸酯的PIL中，纤维素不仅被乙酰化，而且还被丙酸酯化。然而，在基于甲酸酯的PIL中没有发生纤维素乙酰化。揭示了纤维素的酯化是通过羧酸酐和PIL的阴离子种类之间的阴离子交换进行的。
• Methods, processes, and apparatuses for producing dyed and welded substrates
  申请人：Natural Fiber Welding, Inc.

  公开号：US10011931B2

  公开（公告）日：2018-07-03

  A dyeing and welding process may be configured to convert a substrate into a welded substrate having at least some color imparted thereto via a dye and/or coloring agent by applying a process solvent having a dye and/or coloring agent therein to the substrate, wherein the process solvent interrupts one or more intermolecular force between one or more component in the substrate. The substrate may be configured as a natural fiber, such as cellulose, hemicelluloses, and silk. The process solvent may include a binder, such as dissolved biopolymer (e.g., cellulose). After application of a process solvent comprised of a dye and/or coloring agent, the substrate may be exposed to a second application of a process solvent comprised of a binder, which second application may occur before or after a process temperature/pressure zone, process solvent recovery zone, and/or drying zone.

  染色和焊接工艺可配置为通过向基材施加含有染料和/或着色剂的工艺溶剂，将基材转化为焊接基材，该基材通过染料和/或着色剂至少被赋予一些颜色，其中工艺溶剂中断基材中一个或多个组分之间的一个或多个分子间作用力。基材可配置为天然纤维，如纤维素、半纤维素和丝。加工溶剂可包括粘合剂，如溶解的生物聚合物（如纤维素）。在施用由染料和/或着色剂组成的工艺溶剂后，基材可接触到由粘合剂组成的工艺溶剂的第二次施用，第二次施用可发生在工艺温度/压力区、工艺溶剂回收区和/或干燥区之前或之后。
• Ionic liquid mediated technology for synthesis of cellulose acetates using different co-solvents
  作者：Olatunde Jogunola、Valerie Eta、Mattias Hedenström、Ola Sundman、Tapio Salmi、Jyri-Pekka Mikkola

  DOI：10.1016/j.carbpol.2015.08.092

  日期：2016.1

  In this work, cellulose acetate was synthesized under homogeneous conditions. Cellulose was first dispersed in acetone, acetonitrile, 1,5-diazabicyclo(4.3.0)non-5-ene (DBN) or dimethyl sulphoxide (DMSO) and the resulting suspension was dissolved in an ionic liquid, 1,5-diazabicyclo(4.3.0)non-5-enium acetate [HDBNI[OAc] at 70 degrees C for 0.5 h. It was possible to dissolve more than 12 wt% cellulose with a degree of polymerization in the range of 1000-1100. The dissolved cellulose was derivatized with acetic anhydride (Ac2O) to yield acetylated cellulose. As expected, the use of the co-solvents improved the acetylation process significantly. In fact, cellulose acetates with different properties could be obtained in half an hour, thus facilitating rapid processing. When DBN was used as the dispersing agent (the precursor of the ionic liquid), the problems associated with recycling of the ionic liquid were significantly reduced. In fact, additional [HDBN][OAc] was obtained from the interaction of the DBN and the by-product, acetic acid (from Ac2O). However, the cellulose acetate obtained in this manner had the lowest DS. Consequently, the native cellulose and acetylated celluloses were characterized by means of H-1- and C-13-NMR, FT-IR, GPC/SEC and by titration. The cellulose acetates produced were soluble in organic solvents such as acetone, chloroform, dichloromethane and DMSO which is essential for their further processing. It was demonstrated that the ionic liquid can be recovered from the system by distillation and re-used in consecutive acetylation batches. (C) 2015 Elsevier Ltd. All rights reserved.