1,3-dimethylene-1,3-dimethyl-2-n-butylguanidine | 674334-34-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 1,3-dimethylene-1,3-dimethyl-2-n-butylguanidine
• 英文别名: N-(1,3-dimethylimidazolidin-2-ylidene)butan-1-amine；1,3-dimethyl-2-(1-butylimino)imidazolidine；1-Butanamine, N-(1,3-dimethyl-2-imidazolidinylidene)-；N-butyl-1,3-dimethylimidazolidin-2-imine
• CAS: 674334-34-0
• 化学式: C₉H₁₉N₃
• 分子量: 169.27
• InChiKey: JVXLKVFHOQMSIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  18.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  六氟乙酰丙酮 、 1,3-dimethylene-1,3-dimethyl-2-n-butylguanidine 以100%的产率得到1,1,1,5,5,5-hexafluoropentane-2,4-dione compound with N-butyl-1,3-dimethylimidazolidin-2-imine (1:1)
  参考文献：
  名称：

  Superbase-derived protic ionic liquids with chelating fluorinated anions

  摘要：

  Eighteen new protic ionic liquids were synthesized in one step from five organic superbases and five commercially available fluorinated beta-diketones. Physical properties of the ionic liquids, including thermal decomposition temperature were determined. Nine of the ionic liquids were examined as extraction media for La3+, with some very large distribution coefficients obtained. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.037
• 作为产物：
  描述：

  1,3-二甲基-2-咪唑啉酮 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 77.0h， 生成 1,3-dimethylene-1,3-dimethyl-2-n-butylguanidine
  参考文献：
  名称：

  Superbase-derived protic ionic liquids with chelating fluorinated anions

  摘要：

  Eighteen new protic ionic liquids were synthesized in one step from five organic superbases and five commercially available fluorinated beta-diketones. Physical properties of the ionic liquids, including thermal decomposition temperature were determined. Nine of the ionic liquids were examined as extraction media for La3+, with some very large distribution coefficients obtained. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.037

文献信息

• Guanidine/Pd(OAc)₂-Catalyzed Room Temperature Suzuki Cross-Coupling Reaction in Aqueous Media under Aerobic Conditions
  作者：Shenghai Li、Yingjie Lin、Jungang Cao、Suobo Zhang

  DOI：10.1021/jo0626257

  日期：2007.5.1

  A highly efficient Pd(OAc)2/guanidine aqueous system for the room temperature Suzuki cross-coupling reaction has been developed. The new water-soluble and air-stable catalyst Pd(OAc)2·(1f)2 from Pd(OAc)2 and 1,1,3,3-tetramethyl-2-n-butylguanidine (1f) was synthesized and characterized by X-ray crystallography. In the presence of Pd(OAc)2·(1f)2, coupling of arylboronic acids with a wide range of aryl

  已开发出一种用于室温Suzuki交叉偶联反应的高效Pd（OAc）2 /胍水溶液体系。合成了由Pd（OAc）2和1,1,3,3-四甲基-2-正丁基胍（1f）制成的新型水溶性且空气稳定的催化剂Pd（OAc）2 ·（1f）2 X射线晶体学。在Pd（OAc）2 ·（1f）2存在下在水性溶剂中顺利进行了芳基硼酸与各种芳基卤化物的偶合，包括芳基碘化物，芳基溴化物，甚至是活化的芳基氯化物，以提供优良至优异的收率和高周转率（TONs）的交叉偶联产物）（1-碘-4-硝基苯与苯基硼酸反应的TONs高达850 000）。此外，这种温和的方案可以耐受广泛的官能团。
• An ionic liquid based on a cyclic guanidinium cation is an efficient medium for the selective oxidation of benzyl alcohols
  作者：Haibo Xie、Suobo Zhang、Haifeng Duan

  DOI：10.1016/j.tetlet.2003.12.141

  日期：2004.2

  prepared containing a cyclic hexaalkylguanidinium cation. The selective oxidation of a series of substituted benzyl alcohols has been carried out in it, with sodium hypochlorite as the oxidant. The RTIL acts as both phase transfer catalyst (PTC) and solvent. The ionic liquid could be recycled after extraction of the benzaldehyde product with ether.

  已经制备了含有环六烷基胍鎓阳离子的新型室温离子液体（RTIL）。在其中用次氯酸钠作为氧化剂对一系列取代的苄醇进行了选择性氧化。RTIL既用作相转移催化剂（PTC），又用作溶剂。在用醚萃取苯甲醛产物之后，可以将离子液体再循环。
• Chemical fixation of CO2: efficient synthesis of quinazoline-2,4(1H, 3H)-diones catalyzed by guanidines under solvent-free conditions
  作者：Jian Gao、Liang-Nian He、Cheng-Xia Miao、Sébastien Chanfreau

  DOI：10.1016/j.tet.2010.04.011

  日期：2010.6

  Guanidines were proved to be efficient catalysts for the chemical fixation of carbon dioxide with 2-aminobenzonitriles under solvent-free conditions. Notably, the catalysts with low loading worked well for a variety of 2-aminobenzonitriles. As a result, quinazoline-2,4(1H, 3H)-diones by employing present protocol were obtained in good yields under mild conditions. This process represents an alternative approach for the greener chemical fixation of CO2 to afford valuable compounds. (C) 2010 Elsevier Ltd. All rights reserved.
• Superbase-derived protic ionic liquids with chelating fluorinated anions
  作者：Jason R. Bell、Huimin Luo、Sheng Dai

  DOI：10.1016/j.tetlet.2011.05.037

  日期：2011.7

  Eighteen new protic ionic liquids were synthesized in one step from five organic superbases and five commercially available fluorinated beta-diketones. Physical properties of the ionic liquids, including thermal decomposition temperature were determined. Nine of the ionic liquids were examined as extraction media for La3+, with some very large distribution coefficients obtained. (C) 2011 Elsevier Ltd. All rights reserved.