3-Ethyl-4-methylpimelinsaeure | 63134-75-8

• 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: 3-Ethyl-4-methylpimelinsaeure
• 英文别名: 3-ethyl-4-methylheptanedioic acid
• CAS: 63134-75-8
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: XOLAMVTZGCKKMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-乙基-3-甲基-戊二酸 在 氢氧化钾 作用下， 以 乙二醇 为溶剂， 生成 3-Ethyl-4-methylpimelinsaeure
  参考文献：
  名称：

  The Synthesis of Dimethyldl-3-Ethyl-4-methyl-1,2-cyclopentanedicarboxylates

  摘要：

  我们合成了 dl-3-乙基-4-甲基-1,2-环戊烷二羧酸二甲酯的四种 3,4-顺式立体异构体（1a、1b、1c 和 1d），并确定了它们的构型。光谱数据与 GLC 行为的比较表明，作为伊卡霉素的主要降解产物之一，相应的酯具有 r-1、t-2、c-3、c-4 构型 (1a)。此外，还制备出了 r-1、t-2、c-3、t-4 立体异构体（1f）。

  DOI：

  10.1246/bcsj.50.227

文献信息

• RENEWABLE HYDROCARBONS, METHOD FOR PRODUCING THE SAME AND USE THEREOF
  申请人：Neste Oyj

  公开号：EP3187482A1

  公开（公告）日：2017-07-05

  The present invention relates to a method for conversion of levulinic acid and to a hydrocarbon composition obtainable by the method. The method comprises a step of providing a feedstock, a conversion step of subjecting the feedstock to a C-C coupling reaction and a hydrotreatment, and a hydrodeoxygenation step. The content of levulinic acid dimer derivatives having 4 oxygen atoms subjected to the hydrodeoxygenation step is 20 wt.-% or more.

  本发明涉及一种转化乙酰丙酸的方法和一种可通过该方法获得的烃组合物。该方法包括提供原料步骤、将原料进行 C-C 偶联反应和加氢处理的转化步骤以及加氢脱氧步骤。经过加氢脱氧步骤的具有 4 个氧原子的乙酰丙酸二聚体衍生物的含量为 20 wt.-% 或更多。
• Renewable hydrocarbons, method for producing the same and use thereof
  申请人：NESTE OYJ

  公开号：US10968397B2

  公开（公告）日：2021-04-06

  A method for conversion of levulinic acid and to a hydrocarbon composition obtainable by the method. The method includes a step of providing a feedstock, a conversion step of subjecting the feedstock to a C—C coupling reaction and a hydrotreatment, and a hydrodeoxygenation step. The content of levulinic acid dimer derivatives having 4 oxygen atoms subjected to the hydrodeoxygenation step is 20 wt.-% or more.

  一种转化乙酰丙酸和可通过该方法获得的碳氢化合物组合物的方法。该方法包括提供原料步骤、将原料进行 C-C 偶联反应和加氢处理的转化步骤以及加氢脱氧步骤。经过加氢脱氧步骤的具有 4 个氧原子的乙酰丙酸二聚体衍生物的含量为 20 wt.-% 或更多。
• Process for the hydrogenation of a lactone or of a carboxylic acid or an ester having a gamma-carbonyl group
  申请人：Van Den Brink John Peter

  公开号：US20060162239A1

  公开（公告）日：2006-07-27

  The invention provides a process for the hydrogenation of a reactant selected from the group consisting of: (a) a 5- or 6-membered lactone that is substituted at the ring-closing carbon atom and has a proton at a carbon atom adjacent to the ring-closing carbon atom; (b) an ester of a carboxylic acid having a gamma-carbonyl group and a proton at a carbon atom adjacent to the carbon atom of the carbonyl group; and (c) a carboxylic acid having a gamma-carbonyl group and a proton at a carbon atom adjacent to the carbon atom of the carbonyl group, wherein the reactant is contacted with a strongly acidic heterogeneous catalyst comprising a hydrogenating metal, in the presence of hydrogen, at a temperature in the range of from 100 to 350° C. and a pressure in the range of from 1 to 150 bar (absolute). The invention further provides a fuel composition, preferably a diesel composition, comprising di-alkyl 4-methylnonanedioate or di-alkyl 3-ethyl-4-methylheptanedioate.

  本发明提供了一种反应物的氢化工艺，该反应物选自由以下组成的组：(a) 在闭环碳原子上被取代且在邻近闭环碳原子的碳原子上有质子的 5 或 6 元内酯； (b) 具有γ-羰基且在邻近羰基碳原子的碳原子上有质子的羧酸酯；(c) 具有γ-羰基并在邻近羰基碳原子的碳原子上具有质子的羧酸，其中反应物在氢气存在下，在 100 至 350 摄氏度的温度范围内，与由氢化金属组成的强酸性异相催化剂接触。压力范围为 1 至 150 巴（绝对压力）。本发明进一步提供了一种燃料组合物，最好是柴油组合物，其中包含 4-甲基壬二酸二烷基酯或 3-乙基-4-甲基庚二酸二烷基酯。
• A PROCESS FOR THE HYDROGENATION OF A LACTONE OR OF A CARBOXYLIC ACID OR AN ESTER HAVING A GAMMA-CARBONYL GROUP
  申请人：Shell Internationale Research Maatschappij B.V.

  公开号：EP1828095B1

  公开（公告）日：2011-10-05
• Process for the dimerisation of levulinic acid, dimers obtainable by such process and esters of such dimers
  申请人：Blessing Wiegbertus Robert

  公开号：US20060135793A1

  公开（公告）日：2006-06-22

  The present invention provides a process for dimerisation of levulinic acid, wherein an organic phase comprising levulinic acid is contacted, in the presence of hydrogen, with a strong acidic heterogeneous catalyst comprising a hydrogenating metal, at a temperature in the range of from 60 to 170° C. and a pressure in the range of from 1 to 200 bar (absolute). The invention further relates to dimers of levulinic acid and their esters, to a mixture comprising levulinic acid and its dimers obtainable by such process and to an ester mixture obtainable by esterifying such mixture of levulinic acid and its dimers.