2,4,4-Trimethyl-pentylium-2 | 762-82-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: 2,4,4-Trimethyl-pentylium-2
• 英文别名: Dimethylneopentylcarbeniumion；Dimethylneopentylcarboniumion；Dimethyl-neopentyl-carbonium；1,1,3,3-tetramethyl-butylium；2,2,4-trimethylpentane
• CAS: 762-82-3
• 化学式: C₈H₁₇
• 分子量: 113.223
• InChiKey: DFRLAUQCCLSCCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  异丁烯 在 acid 作用下， 生成 2,4,4-Trimethyl-pentylium-2
  参考文献：
  名称：

  Hallpap, Peter; Hartung, Horst; Heublein, Guenther, Zeitschrift fur Chemie, 1987, vol. 27, # 4, p. 140 - 142

  摘要：

  DOI：

文献信息

• Gas phase reactions between titanium(1+) and isobutylene: cationic polymerization and observation of C4H9+ (C4H8)n by high-pressure mass spectrometry
  作者：George M. Daly、M. Samy El-Shall

  DOI：10.1021/j100053a052

  日期：1994.1

  The gas-phase reactions between Ti+ and isobutylene in a variable pressure laser vaporization source have been investigated. At low pressure, the dominant reaction path is the elimination of Ha followed by sequential additions of isobutylene molecules onto TiC4H6+. At higher pressure (0.3 Torr), the eliminative reactions are quenched and a new condensation channel is opened which corresponds to the generation of a polymeric ion of the form C4H9+(C4H8)(n). This channel proceeds via the generation of C4H9+ from a pressure-dependent chain transfer reaction of the Ti+ containing ions to isobutylene monomers. The reaction rates among the series C4H9+(C4H8)(n) vary significantly with n. The first two steps are very fast and the steps generating the ions with n = 3-5 are relatively slow. The present study suggests that it is possible to alter the mechanism of gas-phase cationic polymerization and perhaps control the composition of the final products by controlling the total pressure in the reaction source.