N,N,N',N'-tetramethyl-N'',N''-dihexyl-guanidinium bromide | 139996-12-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N',N'-tetramethyl-N'',N''-dihexyl-guanidinium bromide
• 英文别名: 1,1,3,3-tetramethyl-2,2-dihexyl guanidinium bromide；Dihexyltetramethylguanidinium bromide；[(dihexylamino)-(dimethylamino)methylidene]-dimethylazanium;bromide
• CAS: 139996-12-6
• 化学式: Br*C₁₇H₃₈N₃
• 分子量: 364.413
• InChiKey: QDYUHBHQOMZIRO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.64
• 重原子数：
  21
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  9.5
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Halogen exchange reactions and catalysts therefor
  申请人：——

  公开号：US20030163000A1

  公开（公告）日：2003-08-28

  An essentially anhydrous agitated mixture of (i) finely-divided essentially anhydrous alkali metal fluoride (e.g., KF), (ii) haloaromatic compound having at least one halogen atom of atomic number greater than 9 on an aromatic ring (e.g., C 6 Cl 6 ), and (iii) an organo guanidinium salt catalyst (e.g., [(Et 2 N) 2 CNEt 2 ]Br), is heated at a temperature at which fluorine replaces one or more of the ring halogen atoms of the haloaromatic compound. A new synthetic route to hexahydrocarbyl guanidinium salts is also described.

  本发明涉及一种基本无水的搅拌混合物，包括（i）细分粉末的基本无水碱金属氟化物（例如KF），（ii）在芳香环上具有原子序数大于9的至少一个卤素原子的卤代芳香化合物（例如C6Cl6），以及（iii）一种有机胍盐催化剂（例如（Et2N）2CNEt2Br），在氟原子取代卤代芳香化合物的一个或多个环卤素原子的温度下加热。本发明还描述了一种新的合成六氢烷基胍盐的方法。
• Process for the preparation of organo guanidinium salts
  申请人：Chordip Ltd.

  公开号：EP1288196A1

  公开（公告）日：2003-03-05

  A process for the preparation of monovalent or divalent organo guanidinium salts is described. If the product is a monovalent organo guanidinium salt, the process comprises mixing together a halohydrocarbon, an inorganic base, and a salt of unsubstituted guanidine. If the product is a divalent organo guanidinium compound, the process comprises mixing together a first halohydrocarbon, an inorganic base, and a salt of unsubstituted guanidine, followed by mixing of a second halohydrocarbon with the mixture so formed; this is followed by the mixing of a third halohydrocarbon with the mixture formed from the mixing of the second halohydrocarbon. Both processes do not require the absence of water; the use of an organic solvent is optional.

  描述了一种制备一价或二价有机胍盐的工艺。如果产物是一价有机胍盐，该工艺包括将卤代烃、无机碱和未取代胍盐混合在一起。如果产物是二价有机胍化合物，则工艺包括将第一卤代烃、无机碱和未取代的胍盐混合在一起，然后将第二卤代烃与这样形成的混合物混合；接着将第三卤代烃与第二卤代烃混合形成的混合物混合。这两种工艺都不要求没有水；有机溶剂的使用是可选的。