乙烷-1,1,1,2-D4 | 7747-99-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 乙烷-1,1,1,2-D4
• 英文名称: 1,1,1,2-tetradeuterio-ethane
• 英文别名: Ethane-1,1,1,2-d4(7CI,8CI,9CI)；1,1,1,2-tetradeuterioethane
• CAS: 7747-99-1
• 化学式: C₂H₆
• 分子量: 34.0379
• InChiKey: OTMSDBZUPAUEDD-BMQYTIHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  2
• 可旋转键数：
  0
• 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

反应信息

• 作为产物：
  描述：

  在 CO₂ 作用下， 以 氘代甲苯 为溶剂， 生成 N,N-dimethylcarbamate;molybdenum(2+) 、 乙烯-1,1-D2 、 乙烷-1,1,1,2-D4
  参考文献：
  名称：

  Reactions of metal-metal multiple bonds. 8. Forming molybdenum-molybdenum quadruple bonds by reductive elimination (alkyl group disproportionation) in the reactions of 1,2-Mo2R2(NMe2)4 compounds (M.tplbond.M) with carbon dioxide and 1,3-diaryltriazines

  摘要：

  DOI：

  10.1021/ja00372a009

文献信息

• Liberman, Vladimir; Nooney, Matthew G.; Amata, Richard J., Journal of Physical Chemistry, 1993, vol. 97, # 10, p. 2261 - 2269
  作者：Liberman, Vladimir、Nooney, Matthew G.、Amata, Richard J.、Martin, Richard M.

  DOI：——

  日期：——
• A NMR method for the analysis of mixtures of alkanes with different deuterium substitutions
  作者：Alfonso Loaiza、Dan Borchardt、Francisco Zaera

  DOI：10.1016/s1386-1425(97)00159-5

  日期：1997.12

  C-13 NMR at 125.76 MHz with H-1 and H-2 decoupling, H-2 NMR at 76.77 MHz with H-1 decoupling, and H-1 NMR at 500.14 MHz with H-2 decoupling were employed as analytical tools to study the complex mixtures of deuterated ethanes resulting from the catalytic H-D exchange of normal ethane with gas-phase deuterium in the presence of a platinum foil. Reference samples consisting of 1:1 binary mixtures of pure normal ethane and ethane-d(n) (n = 1 - 6) were used to identify the peak positions in the C-13, H-2, and H-1 NMR spectra due to each individual isotopomer, and the effect of isotopic substitution on the chemical shifts was determined in each case. While the NMR of all three nuclei worked well for the identification of the individual components of the 1:1 standard mixtures, both H-1 and 2H NMR suffered from inadequate resolution when studying complex reaction mixtures because of the broadening of the lines due to H-1-H-1 (H-1 NMR) and H-2-H-2 (H-2 NMR) couplings. C-13 NMR was therefore determined to be the method of choice for the quantitative analysis of the reaction mixtures. Using the C-13 NMR results, a correlation that takes into account the primary and secondary isotope substitution effects on chemical shifts was deduced. This equation was used for the identification of the individual components of the mixtures, and integration of the individual observed resonances was then employed for quantification of their composition. This study shows that C-13 NMR with H-1 and H-2 decoupling is a viable procedure for studying mixtures of deuterated ethanes. Furthermore, the additivity of the isotopic effects on chemical shifts and the transferability of the values obtained with ethane to other molecules makes this approach general for the analysis of other isotopomer mixtures. (C) 1997 Elsevier Science B.V.
• Reactions of metal-metal multiple bonds. 8. Forming molybdenum-molybdenum quadruple bonds by reductive elimination (alkyl group disproportionation) in the reactions of 1,2-Mo2R2(NMe2)4 compounds (M.tplbond.M) with carbon dioxide and 1,3-diaryltriazines
  作者：M. J. Chetcuti、M. H. Chisholm、Folting K.、D. A. Haitko、J. C. Huffman

  DOI：10.1021/ja00372a009

  日期：1982.4