hexakis(diethylamino)benzene | 114396-23-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: hexakis(diethylamino)benzene
• 英文别名: 1-N,1-N,2-N,2-N,3-N,3-N,4-N,4-N,5-N,5-N,6-N,6-N-dodecaethylbenzene-1,2,3,4,5,6-hexamine
• CAS: 114396-23-5
• 化学式: C₃₀H₆₀N₆
• 分子量: 504.847
• InChiKey: KQAQHTSCHLTGAK-UHFFFAOYSA-N

物化性质

• 熔点：
  211-213 °C(Solv: acetone (67-64-1))
• 沸点：
  602.2±55.0 °C(Predicted)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  36
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  三氟甲烷磺酸乙酯 、 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.5h， 生成 hexakis(diethylamino)benzene
  参考文献：
  名称：

  Stereochemistry of hexakis(dimethylamino)benzene and its dication

  摘要：

  DOI：

  10.1021/jo00249a016

文献信息

• The reactions of [Pd₂Cl₂(μ-PP)₂] (PP = dppm, dmpm) with Et₂NC≡CNEt₂ in methylene chloride solution: X-ray crystal structures of [Pd₂Cl₂(μ-CH₂)(μ-dppm)₂] and hexakis(diethylamino)benzene, C₆(NEt₂)₆
  作者：Sean R. Klopfenstein、Constanze Kluwe、Kristin Kirschbaum、Julian A. Davies

  DOI：10.1139/v96-260

  日期：1996.11.1

  The binuciear palladium(I) complex, [Pd₂Cl₂(μ-dppm)₂] (dppm = bis(diphenylphosphino)methane), has been shown to react with bis(diethylamino)acetylene, Et₂NC≡CNEt₂, in methylene chloride solution to yield two isolable products, the known methylene-bridged complex, [Pd₂Cl₂(μ-CH₂)(μ-dppm)₂], and hexakis(diethylamino)benzene, C₆(NEt₂)₆, both of which have been characterized crystallographically. The source of the bridging methylene group in [Pd₂Cl₂(μ-CH₂)(μ-dppm)₂] has been shown to be the methylene chloride solvent. A mechanism that accounts for the formation of the two isolable products is proposed. The complex, [Pd₂Cl₂(μdmpm)₂] (dmpm = bis(dimethylphosphino)methane), was similarly found to react with Et₂NC≡NEt₂ in methylene chloride solution to yield [Pd₂Cl₂(μ-CH₂)(μ-dmpm)₂], which was identified spectroscopically. Key words: acetylene, palladium, cyclooligomerization, aminoacetylene, hexakis(diethylamino)benzene.

  双核钯（I）配合物[Pd2Cl2（μ-dppm）2]（dppm = 双（二苯基膦基）甲烷）已被证明可与双（二乙基氨基）乙炔Et2NC≡CNEt2在甲基氯溶液中反应，产生两种可分离的产物：已知的甲基桥联配合物[Pd2Cl2（μ-CH2）（μ-dppm）2]和六（二乙基氨基）苯，C6（NEt2）6，两者均已晶体学表征。[Pd2Cl2（μ- ）（μ-dppm）2]中桥联甲基基团的来源被证明是甲基氯溶剂。提出了一种解释形成这两种可分离产物的机理。同样地，[Pd2Cl2（μdmpm）2]（dmpm = 双（二甲基膦基）甲烷）也被发现可在甲基氯溶液中与Et2NC≡NEt2反应，生成[Pd2Cl2（μ- ）（μ-dmpm）2]，并经光谱鉴定。关键词：乙炔，钯，环寡聚合，氨基乙炔，六（二乙基氨基）苯。
• CHANCE, JEFFREY M.;KAHR, BART;BUDA, ANDRZEJ B.;TOSCANO, JOHN P.;MISLOW, K+, J. ORG. CHEM., 53,(1988) N 14, C. 3226-3232
  作者：CHANCE, JEFFREY M.、KAHR, BART、BUDA, ANDRZEJ B.、TOSCANO, JOHN P.、MISLOW, K+

  DOI：——

  日期：——