5,5-二丁基壬烷 | 6008-17-9

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 5,5-二丁基壬烷
• 英文名称: Tetrabutylmethan
• 英文别名: 5,5-Dibutyl-nonan；Tetra-n-butyl-methan；5,5-Dibutylnonane
• CAS: 6008-17-9
• 化学式: C₁₇H₃₆
• 分子量: 240.473
• InChiKey: WAEWWNSCMZXJML-UHFFFAOYSA-N

物化性质

• 熔点：
  -6 °C
• 沸点：
  103-104 °C(Press: 6 Torr)
• 密度：
  0.7935 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2901100000

反应信息

• 作为产物：
  描述：

  戊酸乙酯 在 mercury dichloride 盐酸 作用下， 以 乙醚 为溶剂， 生成 5,5-二丁基壬烷
  参考文献：
  名称：

  Desgrandchamps,G. et al., Bulletin de la Societe Chimique de France, 1961, p. 264 - 268

  摘要：

  DOI：

文献信息

• A Novel Iron Complex for Cross-Coupling Reactions of Multiple C–Cl Bonds in Polychlorinated Solvents with Grignard Reagents
  作者：Yashraj Gartia、Sharon Pulla、Punnamchandar Ramidi、Carolina Costa Farris、Zeid Nima、Darin E. Jones、Alexandru S. Biris、Anindya Ghosh

  DOI：10.1007/s10562-012-0913-2

  日期：2012.11

  A novel iron(III) complex (2) of a pincer ligand [1, N2,N6-bis(2,6-diisopropylphenyl)pyridine-2,6-dicarboxamide] was developed and used for remediation of polychlorinated solvents via sp(3)-sp(3) coupling of Grignard reagents with C-Cl bonds. The use of an iron catalyst for such coupling reactions is highly desirable due to its greener and more economical nature. Complex 2 was characterized using various spectroscopic techniques: electrospray ionization mass spectrometer (ESI-MS, m/z 575.1), cyclic voltammetry (E-1/2, 0.03 V and Delta E, 0.97 V), and ultraviolet visible (UV/Vis) spectroscopic techniques. The iron(III) complex showed efficient activation of multiple C-Cl bonds and catalyzing C-C coupling of polychlorinated alkyl halides, such as dichloromethane (CH2Cl2), chloroform (CHCl3), and carbon tetrachloride (CCl4), with various Grignard reagents under ambient reaction conditions. Complex 2 showed exceptional activity with reactions approaching near completion in about 5 min. With the required catalyst loading as low as 0.2 mol%, considerably high turnover numbers (TON = 483) and turnover frequency (TOF = 5,800 h(-1)) were obtained. None of the products detected during the reaction contained any chlorine, indicating an efficient dechlorination method while synthesizing products of synthetic and commercial interest. Interestingly, the catalyst was capable of replacing all chlorine atoms in each polychlorinated solvent under the investigations with high conversion.
• Petrow; Tschernyschew, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1952, p. 1082,1083
  作者：Petrow、Tschernyschew

  DOI：——

  日期：——
• Sy,M.; Maillet,M., Bulletin de la Societe Chimique de France, 1966, p. 2253 - 2256
  作者：Sy,M.、Maillet,M.

  DOI：——

  日期：——
• Desgrandchamps,G. et al., Bulletin de la Societe Chimique de France, 1961, p. 264 - 268
  作者：Desgrandchamps,G. et al.

  DOI：——

  日期：——

表征谱图