(2-methyl-1-cyclohexenyl)propan-2-one | 41976-96-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-methyl-1-cyclohexenyl)propan-2-one
• 英文别名: (2-methyl-cyclohex-1-enyl)-acetone；(2-Methyl-cyclohex-1-enyl)-aceton；1-(1-Methylcyclohexen-2-yl)propan-2-on；2-Methylcyclohexenylaceton；1-(2-Methyl-1-cyclohexen-1-yl)acetone；1-(2-methylcyclohexen-1-yl)propan-2-one
• CAS: 41976-96-9
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: USOVIQAFCYXTPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2-methyl-1-cyclohexenyl)propan-2-one 在 alkali hypobromite 、 氢气 、 钯 作用下， 生成 2-Methylcyclohexaneacetic acid
  参考文献：
  名称：

  Wallach, Justus Liebigs Annalen der Chemie, 1912, vol. 394, p. 384

  摘要：

  DOI：
• 作为产物：
  描述：

  1-methyl-4-methylenespiro<2.5>oct-1-yl acetate 在 氢氧化钾 作用下， 以 水 为溶剂， 生成 (2-methyl-1-cyclohexenyl)propan-2-one
  参考文献：
  名称：

  Reactions of magnesium complexes of 1,2-dimethylenecycloalkanes with carboxylic esters: the formation of a versatile intermediate capable of generating fused rings or .beta.,.gamma.-unsaturated ketones

  摘要：

  DOI：

  10.1021/ja00037a066

文献信息

• Reactions of Substituted (2-Butene-1,4-diyl)magnesium Complexes with Carboxylic Esters and Lactones: Formation of a Versatile Intermediate Capable of Generating Substituted Cyclopentenols, Fused-Ring Cyclopentenols, or .beta.,.gamma.-Unsaturated Ketones
  作者：Reuben D. Rieke、Matthew S. Sell、Heping Xiong

  DOI：10.1021/ja00125a001

  日期：1995.5

  Reaction of the magnesium complexes of substituted 1,3-dienes with either carboxylic esters or lactones at low temperature (-78 to -10 degrees C) generates the magnesium salt of a cyclopropanol (4). This intermediate can either be trapped as an acetate of the cyclopropanol (9) or it can be heated to yield substituted cyclopentenols. Moreover, when this intermediate is protonated, it undergoes an intramolecular rearrangement to yield beta,gamma-unsaturated ketones. Accordingly, this protocol allows the generation of a wide range of complex molecules from a single intermediate in high isolated yields.
• Darzens; Rost, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1911, vol. 153, p. 773
  作者：Darzens、Rost

  DOI：——

  日期：——
• Wallach, Justus Liebigs Annalen der Chemie, 1912, vol. 394, p. 372
  作者：Wallach

  DOI：——

  日期：——
• CCLXXXIII.—The chemistry of the three-carbon system. Part XXV. The effect of the methyl group on the tautomerism of acids and ketones of the cyclopentane and cyclohexane series
  作者：George Armand Robert Kon、Ram Simha Thakur

  DOI：10.1039/jr9300002217

  日期：——
• 352. α-Methyl-trans-hexahydroindene-2-acetic acid and the reduction of Δ^α- and Δ^β-unsaturated trans-hexahydrohydrindene (2) compounds
  作者：R. S. Thakur

  DOI：10.1039/jr9330001485

  日期：——