butane

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: butane
• 英文别名: 1,4-dideuteriobutane；N-Butane-1,4-D2
• 化学式: C₄H₁₀
• 分子量: 60.1075
• InChiKey: IJDNQMDRQITEOD-QDNHWIQGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  4
• 可旋转键数：
  1
• 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：

  四氢噻吩 在 镍 氢气 、 氘 作用下， 生成 butane 、 丁烷
  参考文献：
  名称：

  Reaction gas chromatography/mass spectrometry. 4—structure elucidation of cyclic sulphides by gas chromatography/mass spectrometry with the use of on-line hydrodesulphurization

  摘要：

  AbstractA method for structure determination of cyclic sulphides within mixtures is described. It involves the use of a vapour phase hydrodesulphurization micro‐reactor (Raney nickel) located between the chromatographic column and the mass spectrometer (hydrogen and deuterium are used as carrier and reagent gases). A comparative examination of the mass spectra of the cyclic sulphides, as well as of the hydrocarbons and their deuterio analogues (deuterium atoms are bonded to carbon atoms which had been attached to sulphur) derived from the sulphides under the catalytic conditions employed, permits unambiguous determination of the size of the heterocycle and the position of the substituents.

  DOI：

  10.1002/oms.1210190905

文献信息

• Pressure Dependence of the Reaction of Thiolane with H and D Atom
  作者：Jie Tang、Tohru Kamo、Muneyoshi Yamada、Akira Amano

  DOI：10.1246/bcsj.60.3843

  日期：1987.11

  The title reaction was investigated at room temperature and under pressures ranging from 133 to 2660 Pa, using a conventional discharge flow reactor. 1-Butanethiol, butane, and 1-butene were the main products, whose compositions varied according to the pressure. In the reaction with deuterium atom, 1-butene was monodeuterated, while 1-butanethiol and butane were dideuterated. The following mechanism was proposed to account for the product compositions and their pressure dependencies as well as the deuterium labeling of the products.(CH2)4S+H → CH2(CH2)3SH (1)CH2(CH2)3SH+H → CH3CH2CH2CH2SH* (2)CH3CH2CH2CH2SH* → CH3CH2CH2CH2SH (3)→ CH3CH2CHCH2+H2S (4)→ CH3CH2CH2CH2+HS (5)CH3CH2CH2CH2+H → CH3CH2CHCH2+H2 (6)→ CH3CH2CH2CH3 (7)

  标题反应在室温下以及133至2660 Pa的压力范围内进行了研究，使用了常规放电流反应器。1-丁硫醇、丁烷和1-丁烯是主要产物，其组成随压力变化。在与氘原子的反应中，1-丁烯被单氘化，而1-丁硫醇和丁烷则被双氘化。提出了以下机制以解释产物组成及其压力依赖性，以及产物的氘标记。(CH2)4S + H → ( )3SH (1) ( )3SH + H → CH3 SH* (2) CH3 SH* → CH3 SH (3) → CH3 CH + H2S (4) → CH3 + HS (5) CH3 + H → CH3 CH + H2 (6) → CH3 CH3 (7)