二(丙-2-炔基)哌嗪-1,4-二羧酸酯 | 768387-56-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 二(丙-2-炔基)哌嗪-1,4-二羧酸酯
• 英文名称: di(prop-2-ynyl) piperazine-1,4-dicarboxylate
• 英文别名: Bis(prop-2-ynyl) piperazine-1,4-dicarboxylate
• CAS: 768387-56-0
• 化学式: C₁₂H₁₄N₂O₄
• 分子量: 250.254
• InChiKey: GVASXDJJYDJNPM-UHFFFAOYSA-N

物化性质

• 熔点：
  101-102 °C
• 沸点：
  350.5±37.0 °C(Predicted)
• 密度：
  1.267±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二(丙-2-炔基)哌嗪-1,4-二羧酸酯 在 benzyltriethylammonium tetrathiomolybdate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以96%的产率得到哌嗪
  参考文献：
  名称：

  A mild and selective method for N-dealkylation of tertiary amines

  摘要：

  Alkyl groups can be cleaved efficiently and selectively from tertiary alkyl amines using propargyl chloroformate. The propargyloxycarbonyl (Poc) protected secondary amines thus obtained can be deblocked under neutral and mild conditions using benzyltriethylammonium tetrathiomolybdate. The generality and compatibility of the method have been studied with a wide range of functionalities. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.018
• 作为产物：
  描述：

  哌嗪 、 炔丙基氯甲酸酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以88%的产率得到二(丙-2-炔基)哌嗪-1,4-二羧酸酯
  参考文献：
  名称：

  CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS

  摘要：

  点击化学的高效率和高保真度使得可以制备大量多样化的树状分子，这些分子在链端、重复单元和/或核心上具有各种功能。在合成过程中几乎可以获得定量产率。在某些情况下，过滤或溶剂萃取是唯一需要用于纯化的方法。这些特点代表了树状分子化学领域的重大进步，并展示了有机化学和功能材料之间日益增强的协同作用。

  公开号：

  US20090069561A1

文献信息

• Non-aqueous electrolyte solution additive, and non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery which include the same
  申请人：LG Chem, Ltd.

  公开号：US11081729B2

  公开（公告）日：2021-08-03

  The present invention relates to a non-aqueous electrolyte solution additive, and a non-aqueous electrolyte solution for a lithium-ion battery and a lithium-ion battery which include the same, and particularly, to a non-aqueous electrolyte solution, which may remove an acid generated by the decomposition of a lithium salt while being able to suppress the dissolution of metal impurities causing failure in the battery by using and including a Lewis base compound containing a propargyl group as a non-aqueous electrolyte solution additive for a lithium-ion battery, and a lithium secondary battery in which transition metal dissolution in a positive electrode and a low-voltage phenomenon are improved.

  本发明涉及一种非水电解质溶液添加剂，以及一种用于锂离子电池的非水电解质溶液和一种包含该添加剂的锂离子电池，特别是一种非水电解质溶液、通过使用和包括含有丙炔基团的路易斯碱化合物作为锂离子电池的非水电解质溶液添加剂，可去除锂盐分解产生的酸，同时能够抑制导致电池失效的金属杂质的溶解，以及改善正极中过渡金属溶解和低电压现象的锂二次电池。
• Efficiency and Fidelity in a Click-Chemistry Route to Triazole Dendrimers by the Copper(I)-Catalyzed Ligation of Azides and Alkynes
  作者：Peng Wu、Alina K. Feldman、Anne K. Nugent、Craig J. Hawker、Arnulf Scheel、Brigitte Voit、Jeffrey Pyun、Jean M. J. Fréchet、K. Barry Sharpless、Valery V. Fokin

  DOI：10.1002/anie.200454078

  日期：2004.7.26
• Non-aqueous Electrolyte Solution Additive, and Non-aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery which Include the Same
  申请人：LG Chem, Ltd.

  公开号：US20200044287A1

  公开（公告）日：2020-02-06

  The present invention relates to a non-aqueous electrolyte solution additive, and a non-aqueous electrolyte solution for a lithium-ion battery and a lithium-ion battery which include the same, and particularly, to a non-aqueous electrolyte solution, which may remove an acid generated by the decomposition of a lithium salt while being able to suppress the dissolution of metal impurities causing failure in the battery by using and including a Lewis base compound containing a propargyl group as a non-aqueous electrolyte solution additive for a lithium-ion battery, and a lithium secondary battery in which transition metal dissolution in a positive electrode and a low-voltage phenomenon are improved.
• [EN] CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS<br/>[FR] CHIMIE A HAUTE AFFINITE POUR LA PRODUCTION DE DENDRIMERES TRIAZOLES
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2006005046A9

  公开（公告）日：2006-03-09

  [EN] The high efficiency and fidelity of click chemistry permits a large number of diverse dendrimers encompassing a wide variety of functionalities at the chain ends, repeat units, and/or core to be prepared. Almost quantitative yields were obtained during the synthesis. In some cases, filtration or solvent extraction was the only method required for purification. These features represent a significant advancement in dendrimer chemistry and demonstrate an evolving synergy between organic chemistry and functional materials.
  [FR] La haute efficacité et fidélité de la chimie à haute affinité permet la préparation d'un grand nombre de dendrimères différents renfermant une grande variété de fonctionnalités au niveau des extrémités de chaîne, des unités de répétition et/ou du coeur. Des rendements presque quantitatifs ont été obtenus au cours de la synthèse. Dans certains cas, la filtration ou l'extraction par solvant était le seul procédé requis pour la purification. Ces caractéristiques représentent un progrès considérable en chimie des dendrimères et démontrent une synergie en évolution entre des matériaux fonctionnels et de chimie organique.
• A mild and selective method for N-dealkylation of tertiary amines
  作者：Ramakrishna G. Bhat、Yagnaseni Ghosh、Srinivasan Chandrasekaran

  DOI：10.1016/j.tetlet.2004.09.018

  日期：2004.10

  Alkyl groups can be cleaved efficiently and selectively from tertiary alkyl amines using propargyl chloroformate. The propargyloxycarbonyl (Poc) protected secondary amines thus obtained can be deblocked under neutral and mild conditions using benzyltriethylammonium tetrathiomolybdate. The generality and compatibility of the method have been studied with a wide range of functionalities. (C) 2004 Elsevier Ltd. All rights reserved.