mono-(2-oxocyclohexyl) adipate | 76164-97-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: mono-(2-oxocyclohexyl) adipate
• 英文别名: 6-Oxo-6-(2-oxocyclohexyl)oxyhexanoic acid
• CAS: 76164-97-1
• 化学式: C₁₂H₁₈O₅
• 分子量: 242.272
• InChiKey: VGJJCXYGFQIHRM-UHFFFAOYSA-N

物化性质

• 沸点：
  416.8±35.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  环己烷 在 cobalt naphthenate 氧气 作用下， 以 氯苯 为溶剂， 生成 己二酸 、 己二酸酐 、 mono-(2-oxocyclohexyl) adipate
  参考文献：
  名称：

  Freidin, B. G.; Perkel', A. L., Journal of applied chemistry of the USSR, 1981, vol. <2> 54, # 12, p. 2418 - 2422

  摘要：

  DOI：

文献信息

• Perkel'; Freidin; Neginskaya, Journal of applied chemistry of the USSR, 1985, vol. 58, # 7 pt 2, p. 1444 - 1449
  作者：Perkel'、Freidin、Neginskaya、Stolyankova、Ivanova

  DOI：——

  日期：——
• Kinetics of the liquid-phase oxidation of 2-hydroxycyclohexanone
  作者：A. A. Akimov、S. V. Puchkov、Yu. V. Nepomnyashchikh、A. L. Perkel’

  DOI：10.1134/s0023158413030026

  日期：2013.5

  The kinetics of oxygen uptake in the azobisisobutyronitrile-initiated oxidation of 2-hydroxycy-clohexanone (RCH(OH)C(O)R) at 323 K has been investigated (chlorobenzene solvent, [RCH(OH)C(O)R] = 0.15-1.30 mol/L, initiation rate of w (i) = 0.016-0.473 mol L-1 s(-1)). The effective oxidizability parameter k (p, eff)(2k (t,eff))(-0.5) has been determined by solving the inverse kinetic problem using the entire data array obtained while varying [RCH(OH)C(O)R] and w (i). The rate constants of chain propagation and termination and the equilibrium constant of the addition of the hydroxyperoxyl radical to the ketoalcohol have been derived from the dependence of the oxidizability parameter on the substrate concentration. The rate constant of bimolecular chain initiation has been calculated to be k (0) = 9.7 x 10(-7) L mol(-1) s(-1). The ratio of the rate constants of quadratic-law peroxyl radical recombination reactions without and with chain termination (k (eff)'/k (t,eff)') increases with increasing [RCH(OH)C(O)R], passes through a maximum at a substrate concentration of 0.8 mol/L, and then falls off. It is demonstrated that this effect is due to the variation of the proportions of the hydroperoxyl and organic (1-hydroxy-2-oxocyclohexylperoxyl or 1,2-dihydroxy-1-cyclo-hexylperoxyl) radicals in the reaction medium.
• Freidin, B. G.; Perkel', A. L., Journal of applied chemistry of the USSR, 1980, vol. 53, # 7, p. 1257 - 1261
  作者：Freidin, B. G.、Perkel', A. L.

  DOI：——

  日期：——
• Freidin, B. G.; Perkel', A. L., Journal of applied chemistry of the USSR, 1980, vol. 53, # 4, p. 676 - 679
  作者：Freidin, B. G.、Perkel', A. L.

  DOI：——

  日期：——
• Perkel', A. L.; Freidin, B. G.; Novokreshchenova, L. F., Journal of applied chemistry of the USSR, 1982, vol. 55, # 2, p. 367 - 372
  作者：Perkel', A. L.、Freidin, B. G.、Novokreshchenova, L. F.

  DOI：——

  日期：——