1,3-bis(2-cyanoethyl)hexahydropyrimidine | 77215-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,3-bis(2-cyanoethyl)hexahydropyrimidine
• 英文别名: 3,3'-(Dihydropyrimidine-1,3(2H,4H)-diyl)dipropanenitrile；3-[3-(2-cyanoethyl)-1,3-diazinan-1-yl]propanenitrile
• CAS: 77215-44-2
• 化学式: C₁₀H₁₆N₄
• 分子量: 192.264
• InChiKey: OSKRLZWCUCWOCQ-UHFFFAOYSA-N

物化性质

• 熔点：
  135-138 °C (decomp)
• 沸点：
  380.7±42.0 °C(Predicted)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  54.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-bis(2-cyanoethyl)hexahydropyrimidine 在 Ra-Ni 氢气 作用下， 以96%的产率得到1,3-bis(3-aminopropyl)hexahydropyrimidine
  参考文献：
  名称：

  New strategy for the synthesis of polyazamacrocyclic compounds: use of a removable protecting and rigid group

  摘要：

  DOI：

  10.1021/jo00243a045
• 作为产物：
  描述：

  六氢嘧啶 、 β-氯丙腈 在 potassium carbonate 、 potassium iodide 作用下， 以 水 、 乙腈 为溶剂， 反应 17.5h， 生成 1,3-bis(2-cyanoethyl)hexahydropyrimidine
  参考文献：
  名称：

  LITHIUM-ION BATTERY AND APPARATUS

  摘要：

  本申请提供了一种锂离子电池和装置，该锂离子电池包括电极组件和电解质，电极组件包括正极片、负极片和隔膜。正极片的正极活性材料包括Lix1Coy1M11-y1O2-aQ1a和LilNim1Con1M2pM3qO2-bQ2b，其中Lix1Coy1M11-y1O2-aQ1a和LilNim1Con1M2pM3qO2-bQ2b的质量比为1:1-9:1。电解质含有添加剂A，添加剂A是一种含有多个腈基且具有低氧化电位的六元氮杂环化合物。根据本申请的锂离子电池在高温和高电压条件下具有优异的循环性能和储存性能。

  公开号：

  US20210143477A1

文献信息

• ELECTROLYTE AND ELECTROCHEMICAL DEVICE
  申请人：CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED

  公开号：US20210280910A1

  公开（公告）日：2021-09-09

  The present disclosure relates to the field of energy storage materials, and particularly, to an electrolyte and an electrochemical device. The electrolyte includes an additive A and an additive B, the additive A is selected from a group consisting of multi-cyano six-membered N-heterocyclic compounds represented by Formula I-1, Formula I-2 and Formula I-3, and combinations thereof, and the additive B is at least one unsaturated bond-containing cyclic carbonate compound. The electrochemical device includes the above electrolyte. The electrolyte of the present disclosure can effectively passivate surface activity of the positive electrode material, inhibit oxidation of the electrolyte, and effectively reduce gas production of the battery, while an anode SEI film can be formed to avoid a contact between the anode and the electrode and thus to effectively reduce side reactions.

  本公开涉及能源存储材料领域，特别是涉及一种电解质和一种电化学装置。该电解质包括添加剂A和添加剂B，其中添加剂A选自由式I-1、式I-2和式I-3所代表的多氰基六元杂环化合物组成的一组，以及它们的组合物，添加剂B是至少一种含有不饱和键的环状碳酸酯化合物。所述电化学装置包括上述电解质。本公开的电解质可以有效地钝化正极材料的表面活性，抑制电解质的氧化，并有效地减少电池的气体产生，同时可以形成阳极SEI膜，以避免阳极与电极之间的接触，从而有效地减少副反应。
• Lithium-ion battery and apparatus
  申请人：Contemporary Amperex Technology Co., Limited

  公开号：US10938068B2

  公开（公告）日：2021-03-02

  This application provides a lithium-ion battery and an apparatus. The lithium-ion battery includes an electrode assembly and an electrolyte. The electrode assembly includes a positive electrode plate, a negative electrode plate, and a separator. A positive active material of the positive electrode plate includes Lix1Coy1M1-y1O2-z1Qz1, where 0.5≤x1≤1.2, 0.8≤y1<1.0, 0≤z1≤0.1, M is selected from one or more of Al, Ti, Zr, Y, and Mg, and Q is selected from one or more of F, Cl, and S. The electrolyte contains an additive A, an additive B, and an additive C. The additive A is a polynitrile six-membered nitrogen-heterocyclic compound with a relatively low oxidation potential. The additive B is an anhydride compound. The additive C is a halogen substituted cyclic carbonate compound.

  该应用程序提供了一种锂离子电池和一个装置。该锂离子电池包括电极组件和电解质。电极组件包括正极板、负极板和隔膜。正极板的正极活性材料包括Lix1Coy1M1-y1O2-z1Qz1，其中0.5≤x1≤1.2，0.8≤y1<1.0，0≤z1≤0.1，M从Al、Ti、Zr、Y和Mg中选择一个或多个，Q从F、Cl和S中选择一个或多个。电解质包含添加剂A、添加剂B和添加剂C。添加剂A是一种具有相对较低氧化电位的聚腈六元杂环化合物。添加剂B是一种酐化合物。添加剂C是一种卤代环碳酸酯化合物。
• Electrolyte and electrochemical device
  申请人：Contemporary Amperex Technology Co., Limited

  公开号：US11239497B2

  公开（公告）日：2022-02-01

  This application provides an electrolyte and an electrochemical device, wherein the electrolyte comprises an additive A and an additive B, the additive A is present in an amount of 0.001% to 10% by mass in the electrolyte, and the additive B is present in an amount of 0.1% to 10% by mass in the electrolyte. This application can improve the cycle performance and storage performance of the electrochemical device, especially the cycle performance and storage performance of the electrochemical device under high temperature and high voltage conditions.

  该应用程序提供了一种电解质和一种电化学装置，其中电解质包括添加剂A和添加剂B，添加剂A在电解质中的质量分数为0.001％至10％，添加剂B在电解质中的质量分数为0.1％至10％。该应用程序可以提高电化学装置的循环性能和储存性能，特别是在高温和高电压条件下的循环性能和储存性能。
• U.V.-curable coating composition and a process for coating a substrate with such coating composition
  申请人：AKZO N.V.

  公开号：EP0049922A2

  公开（公告）日：1982-04-21

  A coating composition is disclosed which is curable under the influence of ultraviolet light and which comprises a U.V.-curable binder, a photoinitiator and as accelerator an N,N'-disubstituted cyclic 1,3-diaza compound having 5 to 9 ring atoms. The accelerator is preferably an N,N'- disubstituted imidazolidine or hexahydropyrimidine compound. The U.V.-curable binder is preferably an unsaturated epoxy resin or an at least one isocyanate group-containing adduct of (a) an acrylic or methacrylic hydroxyester having 5 to 20 carbon atoms, and (b) a polyisocyanate having 5 to 44 carbon atoms and 2 to 4 isoryanate groups.

  本发明公开了一种可在紫外线照射下固化的涂料组合物，它包括紫外线固化粘合剂、光引发剂和作为促进剂的具有 5 至 9 个环原子的 N,N'-二取代环状 1,3-二氮杂化合物。促进剂最好是 N,N'-二取代咪唑烷或六氢嘧啶化合物。U.V.- 固化粘合剂最好是不饱和环氧树脂或至少一种含有异氰酸酯基团的加成物，这些加 成物包括 (a) 具有 5 至 20 个碳原子的丙烯酸或甲基丙烯酸羟酯，和 (b) 具有 5 至 44 个碳原子和 2 至 4 个异氰酸酯基团的多异氰酸酯。
• LITHIUM ION BATTERY AND DEVICE
  申请人：Contemporary Amperex Technology Co., Limited

  公开号：EP3796449A1

  公开（公告）日：2021-03-24

  The present application provides a lithium-ion battery (5) and an apparatus, and the lithium-ion battery (5) includes an electrode assembly and an electrolytic solution, the electrode assembly includes a positive electrode sheet, a negative electrode sheet and a separation film. A positive active material of the positive electrode sheet includes Lix1Coy1M1-y1O2-z1Qz1, 0.5≤ x1≤1.2, 0.8≤y1≤1.0, 0≤z1≤0.1, M is selected from one or more of Al, Ti, Zr, Y, and Mg, and Q is selected from one or more of F, Cl, and S. The electrolytic solution contains vinylene carbonate, fluoroethylene carbonate, 1,3-propane sultone, and an additive A. The additive A is a polynitrile six-membered nitrogen-heterocyclic compound with a relatively low oxidation potential. The lithium-ion battery (5) has superb cycle performance and storage performance, especially under high-temperature and high-voltage conditions.

  本申请提供了一种锂离子电池（5）及装置，锂离子电池（5）包括电极组件和电解液，电极组件包括正极片、负极片和分离膜。正极片的正极活性材料包括Lix1Coy1M1-y1O2-z1Qz1，0.5≤x1≤1.2，0.8≤y1≤1.0，0≤z1≤0.1，M选自Al、Ti、Zr、Y和Mg中的一种或多种，Q选自F、Cl和S中的一种或多种。添加剂 A 是一种氧化电位相对较低的多腈六元氮杂环化合物。锂离子电池（5）具有极佳的循环性能和存储性能，尤其是在高温高压条件下。