2-Acetyl-3-methyl-glutarsaeure-diethylester | 2832-13-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-Acetyl-3-methyl-glutarsaeure-diethylester
• 英文别名: 2-acetyl-3-methyl-glutaric acid diethyl ester；2-Acetyl-3-methyl-glutarsaeure-diaethylester；Diethyl 2-acetyl-3-methylpentanedioate
• CAS: 2832-13-5
• 化学式: C₁₂H₂₀O₅
• 分子量: 244.288
• InChiKey: LZLVTUMUUHXFEG-UHFFFAOYSA-N

物化性质

• 沸点：
  148-150 °C(Press: 10 Torr)
• 密度：
  1.055±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Acetyl-3-methyl-glutarsaeure-diethylester 在 溴 作用下， 以 四氯化碳 为溶剂， 生成 2-Acetyl-2-brom-3-methyl-glutarsaeure-diethylester
  参考文献：
  名称：

  Photodimeric cage compounds. IV. Transformations of the cyclobutenes formed on degradation of the photodimers of 2,6-dimethyl-and 2,6-diethyl-4-pyrone

  摘要：

  DOI：

  10.1021/ja01045a028
• 作为产物：
  描述：

  乙酰乙酸乙酯钠 、 反式-2-丁烯酸乙酯 在 乙醇 作用下， 生成 2-Acetyl-3-methyl-glutarsaeure-diethylester
  参考文献：
  名称：

  Ground Water Flow Analysis of a Mid-Atlantic Outer Coastal Plain Watershed, Virginia, U.S.A.

  摘要：

  AbstractModels for ground water flow (MODFLOW) and particle tracking (MODPATH) were used to determine ground water flow patterns, principal ground water discharge and recharge zones, and estimates of ground water travel times in an unconfined ground water system of an outer coastal plain watershed on the Delmarva Peninsula, Virginia. By coupling recharge and discharge zones within the watershed, flowpath analysis can provide a method to locate and implement specific management strategies within a watershed to reduce ground water nitrogen loading to surface water. A monitoring well network was installed in Eyreville Creek watershed, a first‐order creek, to determine hydraulic conductivities and spatial and temporal variations in hydraulic heads for use in model calibration. Ground water flow patterns indicated the convergence of flow along the four surface water features of the watershed; primary discharge areas were in the noontide portions of the watershed. Ground water recharge zones corresponded to the surface water features with minimal development of a regional ground water system. Predicted ground water velocities varied between < 0.01 to 0.24 m/day, with elevated values associated with discharge areas and areas of convergence along surface water features. Some ground water residence times exceeded 100 years, although average residence times ranged between 16 and 21 years; approximately 95% of the ground water resource would reflect land use activities within the last 50 years.

  DOI：

  10.1111/j.1745-6584.2002.tb02497.x

文献信息

• Electrochemical Deacetylation of 1,3-Dicarbonyl Compounds
  作者：Kazuo Fujimoto、Hirofumi Maekawa、Yoshiharu Matsubara、Ikuzo Nishiguchi

  DOI：10.1246/cl.1996.143

  日期：1996.2

  Mild deacetylation of 1,3-dicarbonyl compounds was achieved by halonium-ion mediated electrolysis. In this reaction, the supporting electrolyte including sodium halide NaX (X = Cl or Br) was essential since the reaction proceeded through substitution by a halonium ion, generated electrochemically at anode, on active methine carbons followed by base-catalyzed deacetylation, and was terminated by reductlve dehalogenation of the formed α-halo carbonyl compounds at cathode.

  通过卤锪离子介导的电解，成功实现了1,3-二羰基化合物的温和去乙酰化。在此反应中，支持电解质的包含钠卤化物NaX（X = Cl或Br）是至关重要的，因为反应通过阳极电化学生成的卤锪离子在活性次甲基碳上的取代进行，紧接着是碱催化的去乙酰化，并在阴极通过还原脱卤终止于形成的α-卤代羰基化合物。
• Burton; Ingold, Journal of the Chemical Society, 1929, p. 2030
  作者：Burton、Ingold

  DOI：——

  日期：——