(N,N-dimethyl-N'-phenylcarbamimidoyl)-dimethylazanium

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (N,N-dimethyl-N'-phenylcarbamimidoyl)-dimethylazanium
• 化学式: C11H18N3+
• 分子量: 192.28
• InChiKey: KVAONWQEUDYKTG-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  18.3
• 氢给体数：
  1
• 氢受体数：
  0

文献信息

• Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds
  申请人：——

  公开号：US20030065187A1

  公开（公告）日：2003-04-03

  The present invention relates to copper-catalyzed carbon-heteroatom and carbon-carbon bond-forming methods. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of an amide or amine moiety and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In additional embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between a nitrogen atom of an acyl hydrazine and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In other embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of a nitrogen-containing heteroaromatic, e.g., indole, pyrazole, and indazole, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-oxygen bond between the oxygen atom of an alcohol and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. The present invention also relates to copper-catalyzed methods of forming a carbon-carbon bond between a reactant comprising a nucleophilic carbon atom, e.g., an enolate or malonate anion, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. Importantly, all the methods of the present invention are relatively inexpensive to practice due to the low cost of the copper comprised by the catalysts.

  本发明涉及铜催化的碳-杂原子和碳-碳键形成方法。在某些实施例中，本发明涉及铜催化的方法，用于在酰胺或胺基团的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在其他实施例中，本发明涉及铜催化的方法，用于在酰基肼的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在另一些实施例中，本发明涉及铜催化的方法，用于在含氮杂环芳烃（例如吲哚、吡唑和吲哌）的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在某些实施例中，本发明涉及铜催化的方法，用于在醇的氧原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氧键。本发明还涉及铜催化的方法，用于在包含亲核碳原子的反应物（例如烯醇酸盐或丙二酸盐负离子）与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-碳键。重要的是，由于催化剂中铜的低成本，本发明的所有方法都相对廉价。
• Switchable solvents and methods of use thereof
  申请人：Jessop G. Philip

  公开号：US20080058549A1

  公开（公告）日：2008-03-06

  A solvent that reversibly converts from a nonionic liquid mixture to an ionic liquid upon contact with a selected trigger, e.g., contact with CO 2 , is described. In preferred embodiments, the ionic solvent is readily converted back to the nonionic liquid mixture. The nonionic liquid mixture includes an amidine or guanidine or both, and water, alcohol, or a combination thereof. Single component amine solvents that reversibly convert between ionic and non-ionic states are also described. Some embodiments require increased pressure to convert; others convert at 1 atmosphere.

  描述了一种溶剂，当接触到选定的触发器（例如接触二氧化碳）时，会可逆地从非离子液体混合物转变为离子液体。在优选实施例中，离子溶剂可以容易地转变回非离子液体混合物。非离子液体混合物包括酰胺或胍啉或两者，并含有水、酒精或二者的组合。还描述了可在离子和非离子状态之间可逆转变的单组分胺溶剂。一些实施例需要增加压力才能转变；另一些在1大气压下转变。
• Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds
  申请人：Buchwald L. Stephen

  公开号：US20050215794A1

  公开（公告）日：2005-09-29

  The present invention relates to copper-catalyzed carbon-heteroatom and carbon-carbon bond-forming methods. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of an amide or amine moiety and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In additional embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between a nitrogen atom of an acyl hydrazine and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In other embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of a nitrogen-containing heteroaromatic, e.g., indole, pyrazole, and indazole, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-oxygen bond between the oxygen atom of an alcohol and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. The present invention also relates to copper-catalyzed methods of forming a carbon-carbon bond between a reactant comprising a nucleophilic carbon atom, e.g., an enolate or malonate anion, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. Importantly, all the methods of the present invention are relatively inexpensive to practice due to the low cost of the copper comprised by the catalysts.

  本发明涉及铜催化的碳-杂原子和碳-碳键形成方法。在某些实施例中，本发明涉及铜催化的方法，用于在苯基、杂环基或乙烯基卤化物或磺酸盐的活性碳和酰胺或胺基团的氮原子之间形成碳-氮键。在其他实施例中，本发明涉及铜催化的方法，用于在苯基、杂环基或乙烯基卤化物或磺酸盐的活性碳和酰肼的氮原子之间形成碳-氮键。在其他实施例中，本发明涉及铜催化的方法，用于在苯基、杂环基或乙烯基卤化物或磺酸盐的活性碳和含氮杂环芳香族化合物（例如吲哚、吡唑和吲唑）的氮原子之间形成碳-氮键。在某些实施例中，本发明涉及铜催化的方法，用于在苯基、杂环基或乙烯基卤化物或磺酸盐的活性碳和醇的氧原子之间形成碳-氧键。本发明还涉及铜催化的方法，用于在包含亲核碳原子（例如烯醇酸根离子或马隆酸根离子）的反应物和苯基、杂环基或乙烯基卤化物或磺酸盐的活性碳之间形成碳-碳键。重要的是，由于催化剂中铜的低成本，本发明的所有方法都相对廉价易行。
• SWITCHABLE SOLVENTS AND METHODS OF USE THEREOF
  申请人：JESSOP Philip G.

  公开号：US20120116076A1

  公开（公告）日：2012-05-10

  A solvent that reversibly converts from a nonionic liquid mixture to an ionic liquid upon contact with a selected trigger, e.g., contact with CO 2 , is described. In preferred embodiments, the ionic solvent is readily converted back to the nonionic liquid mixture. The nonionic liquid mixture includes an amidine or guanidine or both, and water, alcohol, or a combination thereof. Single component amine solvents that reversibly convert between ionic and non-ionic states are also described. Some embodiments require increased pressure to convert; others convert at 1 atmosphere.

  本文描述了一种可逆地从非离子液体混合物转变为离子液体的溶剂，当接触到特定触发器（例如CO2）时会发生转变。在优选实施例中，离子溶剂可以轻松地转变回非离子液体混合物。非离子液体混合物包括酰胺或胍或两者兼有，以及水、酒精或二者的组合。还描述了可逆地在离子和非离子状态之间转变的单组分胺溶剂。一些实施例需要增加压力才能转变；另一些实施例在1大气压下转变。
• Verfahren zur Herstellung von Carbonsäurehalogeniden
  申请人：BASF Aktiengesellschaft

  公开号：EP0531826A2

  公开（公告）日：1993-03-17

  Verfahren zur Herstellung von Säurehalogeniden der allgemeinen Formel I in der R¹C₃- bis C₈-Cycloalkyl, C₄- bis C₂₀-Cycloalkyl-alkyl oder gegebenenfalls durch C₂- bis C₄-Acyl und/oder C₂- bis C₄-Acyloxy ein- bis dreifach substituiertes C₁- bis C₃₀-Alkyl, C₂- bis C₂₀-Alkenyl, C₂- bis C₂₀-Alkinyl oder gegebenenfalls durch C₁- bis C₄-Alkyl, C₁- bis C₄-Alkoxy, Halogen, Nitro, Cyano, C₂- bis C₈-Dialkylamino, C₂- bis C₄-Acyl und/oder C₂- bis C₄-Acyloxy ein- bis dreifach substituiertes Aryl, C₇- bis C₂₀-Aralkyl, Heterocycloalkyl oder C₃- bis C₂₀-Heterocycloalkyl-alkyl und XChlor oder Brom bedeuten, durch Umsetzung von Carbonsäuren der allgemeinen Formel II in der R¹ die oben genannten Bedeutungen hat, oder deren Anhydriden mit einem anorganischen Säurehalogenid der allgemeinen Formel III         O = AX₂   (III), in der AKohlenstoff oder Schwefel bedeutet und X die oben genannten Bedeutungen hat, indem man die Umsetzung bei Temperaturen von 40 bis 180°C in Gegenwart einer ungesättigten Stickstoffverbindung durchführt.

  通式 I 酸卤化物的制备工艺 在 R¹C₃- 至 C₈-Cycloalkyl, C₄- 至 C₂₀-cycloalkyl-alkyl 或 C₁- 至 C₃₀-alkyl 任选被 C₂- 至 C₄-acyl 和/或 C₂- 至 C₄-acyloxy 单至三取代、C₂-至 C₂₀-烯基、C₂-至 C₂₀-炔基或任选由 C₁-至 C₄-烷基取代、C₁-至 C₄-烷氧基、卤素、硝基、氰基、C₂₂-至 C₈-二烷基氨基、C₂-至 C₄-酰基和/或 C₂-至 C₄-acyloxy 单-至三取代芳基、C₇-至C₂₀-烷基、杂环烷基或C₃-至C₂₀-杂环烷基-烷基和 氯或溴 通过通式 II 的羧酸反应 中 R¹具有上述含义，或它们的酸酐与通式 III 的无机酸卤化物的反应 O = AX₂ (III)、 在 A是碳或硫 和 X 具有上述含义，在不饱和氮化合物存在下，于 40 至 180°C 温度下进行反应。

表征谱图