2,4-Dimethyl-5-oxo-pentanoic acid | 112009-57-1

• 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: 2,4-Dimethyl-5-oxo-pentanoic acid
• 英文别名: 2,4-dimethyl-5-oxopentanoic acid
• CAS: 112009-57-1
• 化学式: C₇H₁₂O₃
• mdl: MFCD19230824
• 分子量: 144.17
• InChiKey: IXXKMVONDVVNAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,2-Dimethoxy-3,5-dimethyl-3,4-dihydropyran 生成 2,4-Dimethyl-5-oxo-pentanoic acid
  参考文献：
  名称：

  SCHEEREN J. W.; BAKKER C. G.; PEPERZAK R.; NIVARD R. J. F., TETRAHEDRON LETT., 28,(1987) N 16, 1821-1824

  摘要：

  DOI：

文献信息

• Mechanistic and synthetic aspects of the acid-catalysed hydrolysis of 2,2-dimethoxy-3,4-dihydropyrans into 3,4-dihydro-α-pyrones and δ-keto esters
  作者：J.W. Scheeren、C.G. Bakker、R. Peperzak、R.J.F. Nivard

  DOI：10.1016/s0040-4039(00)95431-5

  日期：1987.1

  Acid-catalysed hydrolysis of 2,2-dimethoxy-3,4-dihydropyrans () yields mixtures of δ-keto esters () and 3,4-dihydro-α-pyrones (). The amount of increases with increasing alkyl substitution in the 3-, 5- and 6-position of and when the hydrolysis is carried out in a two-phases system of water/dichloromethane. It is shown that is formed directly from whereas is formed directly from and by methanolysis

  酸催化的2,2-二甲氧基-3,4-二氢吡喃（）水解生成δ-酮酸酯（）和3,4-二氢-α-吡喃酮（）的混合物。当在水/二氯甲烷的两相系统中进行水解时，随着在3位，5位和6位烷基的取代增加而增加的量。结果表明，甲醇直接由形成，而甲醇则由甲醇直接形成。讨论了这些水解反应的机理和合成方面。
• Process for the preparation of an aldehyde
  申请人：DSM N.V.

  公开号：EP0839787A1

  公开（公告）日：1998-05-06

  Process for the preparation of an aldehyde through hydroformylation of an unsaturated organic compound in the presence of a catalyst system comprising rhodium or iridium and a multidentate organic phosphite ligand, wherein a monodentate phosphine is present. The process according to the invention can advantageously be carried out for the preparation of methyl-5-formylvalerate, which is an intermediate product in the preparation of ε-caprolactam or adipic acid, which are in turn raw materials for the preparation of nylon-6 and nylon-6,6, respectively.

  在由铑或铱和多价有机亚磷酸酯配体组成的催化剂体系存在下，通过不饱和有机化合物的氢甲酰化制备醛的工艺，其中存在单价膦。 5-甲酰基戊酸甲酯是制备ε-己内酰胺或己二酸的中间产物，而ε-己内酰胺或己二酸又分别是制备尼龙-6 和尼龙-6,6 的原料。
• Process to separate a rhodium/phosphite ligand complex and free phosphite ligand complex from a hydroformylation mixture
  申请人：DSM N.V.

  公开号：EP1103303A1

  公开（公告）日：2001-05-30

  Process to separate a rhodium/phosphite ligand complex and free phosphite ligand from a hydroformylation mixture also containing high boiling hydroformylation compounds by contacting said mixture with a polymeric membrane, wherein said mixture is diluted with at least one diluent compound having a solubility parameter such that the absolute difference in relation to the solubiltity parameter of the membrane lies between 0 and 400kJ/m3 and the ratio of the molar volume of the phosphite ligand and said diluent compound is ≥ 1.5, to such an extent that the amount of high boiling compounds in said mixture is ≤ 50 wt.% and/or the amount of compounds with a molecular weight of between x ± 200 is ≤ 20 wt.% whereby x is the cut-off of the membrane (g/mole) (relative to the total amount of the mixture).

  将铑/亚磷酸配体络合物和游离亚磷酸配体从还含有高沸点加氢甲酰化合物的加氢甲酰化混合物中分离出来的工艺，方法是将所述混合物与聚合物膜接触，其中所述混合物用至少一种稀释剂化合物稀释，稀释剂化合物的溶解度参数与膜的溶解度参数的绝对差值介于0和400kJ/m3之间，且亚磷酸配体与所述稀释剂化合物的摩尔体积之比≥1.5，从而使所述混合物中高沸点化合物的含量≤ 50 重量％和/或分子量在 x ± 200 之间的化合物的含量≤ 20 重量％，其中 x 为膜的截止值（克/摩尔）（相对于混合物的总量）。
• Process to separate linear alkyl 5-formylvalerate
  申请人：——

  公开号：US20020038047A1

  公开（公告）日：2002-03-28

  The invention relates to a process to separate linear 5-formylvalerate compound from a crude mixture comprising 5-formylvalerate compound and 2-, 3- and/or 4-formylvalerate compound by vacuum distillation, wherein the distillation is performed in the presence of a phenolic compound with a boiling point which is at least 10° C. higher than the boiling point of the 5-formylvalerate at 0.1-100 kPa.

  本发明涉及一种通过真空蒸馏从包含 5-甲酰基戊酸化合物和 2-、3-和/或 4-甲酰基戊酸化合物的粗混合物中分离线性 5-甲酰基戊酸化合物的工艺，其中蒸馏是在一种酚类化合物存在的情况下进行的，该酚类化合物在 0.1-100 kPa 下的沸点比 5-甲酰基戊酸化合物的沸点至少高 10°C。
• Continuous hydroformylation process
  申请人：——

  公开号：US20040138508A1

  公开（公告）日：2004-07-15

  A continuous hydroformylation process for forming an aldehyde comprising: A) reacting an olefinically unsaturated compound containing from 6 to 30 carbon atoms, carbon monoxide, hydrogen, and a rhodium-bisphosphite ligand complex catalyst to form a reaction mixture, B) separating aldehyde product from at least a portion of said reaction mixture, resulting in an aldehyde containing product stream and a catalyst containing product stream, and C) recycling the catalyst containing stream to A), wherein said separation is accomplished in a vacuum evaporator and a vapour/liquid separator and wherein the temperature of the heating surface of the evaporator is less than 125° C. and the residence time of the catalyst in the evaporator is less than 15 minutes.

  一种形成醛的连续加氢甲酰化工艺，包括 A) 使含有 6 至 30 个碳原子的烯烃不饱和化合物、一氧化碳、氢和二磷酸铑配位体络合物催化剂反应，形成反应混合物、 B) 从所述反应混合物的至少一部分中分离出醛产物，形成含醛产物流和含催化剂产物流，以及 C) 将含催化剂的产物流回收至 A)，其中所述分离在真空蒸发器和汽液分离器中完成，蒸发器加热表面的温度低于 125 摄氏度，催化剂在蒸发器中的停留时间少于 15 分钟。