4-亚甲基庚烷-3-酮 | 101074-24-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-亚甲基庚烷-3-酮
• 英文名称: 4-Methylene-heptan-3-one
• 英文别名: 4-Methylideneheptan-3-one
• CAS: 101074-24-2
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: GYCYJYIIFIBNMX-UHFFFAOYSA-N

物化性质

• 沸点：
  176.6±9.0 °C(Predicted)
• 密度：
  0.826±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  4-亚甲基庚烷-3-酮 、 丙二酸二甲酯 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 5-Methyl-2,4-dioxo-3-propyl-1-cyclohexancarbonsaeure-methylester 、 3-Methyl-2,4-dioxo-5-propyl-1-cyclohexancarbonsaeure-methylester
  参考文献：
  名称：

  Risch, Nikolaus, Chemische Berichte, 1985, vol. 118, # 9, p. 4073 - 4085

  摘要：

  DOI：
• 作为产物：
  描述：

  4-Bromomethyl-heptan-3-one 在 aluminum oxide 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 4-亚甲基庚烷-3-酮
  参考文献：
  名称：

  Savchenko, A. I.; Sviridov, S. V.; Kulinkovich, O. G., Russian Journal of Organic Chemistry, 1994, vol. 30, # 3.1, p. 353 - 355

  摘要：

  DOI：

文献信息

• Preparation of α-Methylene Ketones by Direct Methylene Transfer
  作者：J. Augusto R. Rodrigues、Ezequias P. Siqueira-Filho、Moacir de Mancilha、Paulo J. S. Moran

  DOI：10.1081/scc-120015719

  日期：2003.3

  Four methods for the preparation of alpha-methylene ketones by direct methylene transfer are presented. The procedures were optimized in order to obtain high yields.
• Metal-Catalyzed Oxidations with Pinane Hydroperoxide:  A Mechanistic Probe To Distinguish between Oxometal and Peroxometal Pathways
  作者：H. E. B. Lempers、A. Ripollès i Garcia、R. A. Sheldon

  DOI：10.1021/jo971270b

  日期：1998.3.1

  The relative reactivities of tert-butyl hydroperoxide (TBHP) and pinane hydroperoxide (PHP) in metal (Cr, Mo, Ru, Se, V, and Zr)-catalyzed oxidations were compared. When these oxidations involve rate-limiting oxygen transfer from a peroxometal species to the substrate huge differences between TBHP and PHP were observed, e.g., molybdenum-catalyzed epoxidation of cyclohexene with TBHP gave a 98% yield while PHP gave 0%. When the reaction involves reaction of an oxometal species with the substrate as the rate-limiting step, little or no difference is observed, e.g., the selenium-catalyzed allylic oxidation of beta-pinene gave a 96% and 99% yield with TBHP and PHP, respectively. Small but significant differences are observed when reoxidation of the catalyst by the hydroperoxide to the active oxometal species is the rate-limiting step; e.g., the chromium-catalyzed oxidation of carveol gave carvone in 89% and 24% yield with TBHP and PHP, respectively. Hence, the effect of RO2H structure on rate is dependent on the rate-limiting step.
• Sawtschenko A. I., Swiridow S. W., Kulinkowitsch O. G., Zh. organ. khimii, 30 (1994) N 3, S 333-335
  作者：Sawtschenko A. I., Swiridow S. W., Kulinkowitsch O. G.

  DOI：——

  日期：——
• Savchenko, A. I.; Sviridov, S. V.; Kulinkovich, O. G., Russian Journal of Organic Chemistry, 1994, vol. 30, # 3.1, p. 353 - 355
  作者：Savchenko, A. I.、Sviridov, S. V.、Kulinkovich, O. G.

  DOI：——

  日期：——
• Risch, Nikolaus, Chemische Berichte, 1985, vol. 118, # 9, p. 4073 - 4085
  作者：Risch, Nikolaus

  DOI：——

  日期：——