1,6,6-三甲基环己烯 | 69745-49-9

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 1,6,6-三甲基环己烯
• 英文名称: 1,6,6-trimethylcyclohexene
• 英文别名: 1,6,6-trimethyl-cyclohexene；1,6,6-Trimethyl-cyclohexen；1,1,2-Trimethyl-cyclohexen-(2)；2,3,3-Trimethyl-cyclohexen-(1)；1,1,2-Trimethyl-cyclohex-2-en；2,3,3-Trimethylcyclohexene
• CAS: 69745-49-9
• 化学式: C₉H₁₆
• mdl: MFCD00061068
• 分子量: 124.226
• InChiKey: UBMLKGCOROJNMF-UHFFFAOYSA-N

物化性质

• 熔点：
  -91.55°C (estimate)
• 沸点：
  146.85°C
• 密度：
  0.8230

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,6,6-三甲基环己烯 在 镍 氢气 作用下， 以 甲醇 为溶剂， 生成 1,1,2-三甲基环己烷
  参考文献：
  名称：

  Alder,K. et al., Chemische Berichte, 1961, vol. 94, p. 456 - 467

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二甲基环己酮 在 碘 作用下， 生成 1,6,6-三甲基环己烯
  参考文献：
  名称：

  Vejdelek,Z.J. et al., Collection of Czechoslovak Chemical Communications, 1960, vol. 25, p. 245 - 253

  摘要：

  DOI：

文献信息

• Anhydrous ferric chloride dispersed on silica gel induced ring enlargement of tertiary cycloalkanols. II : a convenient homologation of cycloalkanones, preparation of spiro systems and propella -γ-lactones
  作者：A. Fadel、J. Salaun

  DOI：10.1016/s0040-4020(01)96528-7

  日期：1985.1

  The reagent obtained by mixing anhydrous FeCl3 and silica gel induced, in the lack of any solvent, dehydration of tertiary cycloalkanols, specific C4→C5 and C5 →C6 enlargement, formation of spiro compounds and propella-γ- lactones and cleavage of tetrahydropyranyl ethers.

  通过在无溶剂的情况下将无水FeCl 3和硅胶混合得到的试剂，导致叔环链烷醇脱水，C 4 →C 5和C 5 →C 6增大，形成螺环化合物和螺旋桨-γ-内酯，四氢吡喃基醚的裂解。
• Ozonolyses of 4,4-Dimethyl-2-cyclohexen-1-yl Acetate and 4,4-Dimethyl-2-cyclopenten-1-yl Acetate. Competition between the Steric Effects of the Allylic Methyl Groups and the Electronic Effects of the Acetoxy Group on the Direction of Cleavage of the Primary Ozonides
  作者：Shin-ichi Kawamura、Hideyuki Yamakoshi、Masatomo Nojima

  DOI：10.1021/jo960219p

  日期：1996.1.1

  In order to understand the relative directing effects of the substituent steric and electronic effects on the cleavage of the primary ozonides, ozonolyses of a series of cyclohexene and cyclopentene derivatives were conducted in methanol or in ether in the presence of trifluoroacetophenone. The ozonolysis of 4,4-dimethyl-2-cyclohexen-1-yl acetate (1k) in methanol provided exclusively the alpha-methoxyalkyl hydroperoxide 7k derived from capture of 5-acetoxy-5-formyl-2,2-dimethylpentanal oxide by the solvent, while in the case of the relevant 4,4-dimethyl-2-cyclopenten-1-yl acetate (1l) the solvent-captured product 6l derived from trapping of 2-acetoxy-5-formyl-5-methylpentanal oxide was the major product. The remarkable difference in the regiochemistry of the fragmentation between the primary ozonides, 2k and 2l, is rationalized in terms of the significant difference in the steric congestion.
• Vejdelek,Z.J. et al., Collection of Czechoslovak Chemical Communications, 1960, vol. 25, p. 245 - 253
  作者：Vejdelek,Z.J. et al.

  DOI：——

  日期：——
• Colonge; Duroux, Bulletin de la Societe Chimique de France, 1940, vol. <5> 7, p. 459,467
  作者：Colonge、Duroux

  DOI：——

  日期：——
• v. Auwers; Lange, Justus Liebigs Annalen der Chemie, 1915, vol. 409, p. 167
  作者：v. Auwers、Lange

  DOI：——

  日期：——

表征谱图