8-trans,10-trans-conjugated linoleic acid | 115863-92-8

• 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: 8-trans,10-trans-conjugated linoleic acid
• 英文别名: (8E,10E)-8,10-octadecadienoic acid；octadeca-8E,10E-dienoic acid；8-trans,10-trans-CLA；octadeca-8t,10t-dienoic acid；Octadeca-8t,10t-diensaeure；trans-8, trans-10-octadecadienoic acid；8E,10E-octadecadienoic acid；(8E,10E)-octadeca-8,10-dienoic acid
• CAS: 115863-92-8
• 化学式: C₁₈H₃₂O₂
• 分子量: 280.451
• InChiKey: QJKCKUNKNNYJNS-BNFZFUHLSA-N

物化性质

• 熔点：
  56-56.5 °C
• 沸点：
  413.2±24.0 °C(Predicted)
• 密度：
  0.911±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  20
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  8-trans,10-trans-conjugated linoleic acid 在 盐酸 、 丙酮 作用下， 生成 (+-)-3c(?)-heptyl-6c(?)-(6-methoxycarbonyl-hexyl)-cyclohex-4-ene-1r,2c-dicarboxylic acid-anhydride
  参考文献：
  名称：

  Die Bildung von 8 t,10 t‐Octadecadiensäure aus Elaidin‐ und Ölsäure über die in Allylstellung bromierten Methylester

  摘要：

  DOI：

  10.1002/lipi.19520541205
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 乙醚 、 锌 作用下， 生成 8-trans,10-trans-conjugated linoleic acid
  参考文献：
  名称：

  Mikusch, Journal of the American Oil Chemists' Society, 1952, vol. 29, p. 114

  摘要：

  DOI：

文献信息

• Amino acid preparation method comprising a step of hydroformylation of an unsaturated fatty nitrile
  申请人：ARKEMA FRANCE

  公开号：US10125221B2

  公开（公告）日：2018-11-13

  A process for synthesizing an ω-amino acid compound of formula HOOC—(CH2)r+2—CH2NH2, wherein 4≤r≤13 from a monounsaturated fatty nitrile compound of formula CH2═CH—(CH2)r—CN the process comprising: 1) a step of hydroformylation of the mono unsaturated fatty nitrile compound by reacting said nitrile with carbon monoxide and di hydrogen 5e-a5 to obtain a nitrile aldehyde compound of formula HOC—(CH2)r+2-CN, then 2) a step of oxidation, in the presence of dioxygen, of the nitrile aldehyde compound to obtain a corresponding nitrile acid compound of formula HOOC—(CH2)r+2-CN, and 3) a step of reduction of the nitrile acid compound to give an w-amino acid of formula HOOC—(CH2)r+2—CH2NH2.

  一种用于合成ω-氨基酸化合物公式 HOOC—(CH2)r+2—CH2NH2， 其中4≤r≤13，从单不饱和脂肪酸腈化合物公式 CH2═CH—(CH2)r—CN 该工艺包括：1）单不饱和脂肪酸腈化合物的氢甲酰化步骤，通过将所述腈与一氧化碳和二氢5e-a5反应，以获得腈醛化合物公式HOC—(CH2)r+2-CN，然后2）在 dioxygen 存在的情况下，氧化腈醛化合物以获得相应的腈酸化合物公式HOOC—(CH2)r+2-CN，以及3）将腈酸化合物还原为给出w-氨基酸的公式 HOOC—(CH2)r+2—CH2NH2.
• METHOD FOR THE CONTROLLED HYDROFORMYLATION AND ISOMERIZATION OF A NITRILE/ESTER/OMEGA UNSATURATED FATTY ACID
  申请人：ARKEMA FRANCE

  公开号：US20160115120A1

  公开（公告）日：2016-04-28

  A method to synthesize a fatty nitrile/ester aldehyde comprising the following steps: 1) hydroformylation of a ω-unsaturated fatty nitrile/ester/acid substrate under particular conditions of partial pressure, temperature, reaction time, conversion rate of the ω-unsaturated fatty nitrile/ester/acid reactant, catalyst, [substrate]/[metal] molar ratio and [ligand]/[metal] molar ratio so as after the reaction to obtain: a hydroformylation product comprising at least one fatty nitrile/ester/acid aldehyde of formula: OHC—(CH 2 ) r+2 —R, and an isomerate comprising at least one fatty nitrile/ester/acid isomer with internal unsaturation in which at least 80% of the internal isomer(s) of the isomerate are formed of the ω-1 unsaturated isomer of formula CH 3 —CH═CH—(CH 2 ) r−1 —R; followed by: 2) separation and recovery of the fatty nitrile/ester/acid aldehyde and of the isomerate.

  一种合成脂肪酸腈/酯醛的方法，包括以下步骤： 1）在特定的分压、温度、反应时间、ω-不饱和脂肪酸腈/酯/酸底物的转化率、催化剂、[底物]/[金属]摩尔比和[配体]/[金属]摩尔比条件下，对ω-不饱和脂肪酸腈/酯/酸底物进行氢甲酰化反应，以便在反应后获得： a. 一个氢甲酰化产物，包括至少一种公式为 OHC—(CH2)r+2—R 的脂肪酸腈/酯/酸醛；和 b. 一个异构物，包括至少一种具有内部不饱和的脂肪酸腈/酯/酸异构体，其中至少80%的内部异构体是由公式为 CH3—CH═CH—(CH2)r−1—R 的ω-1不饱和异构体形成的；随后进行： 2）分离和回收脂肪酸腈/酯/酸醛和异构物。
• Process for Producing Nitrile-Fatty Acid Compounds
  申请人：Brandhorst Markus

  公开号：US20130345388A1

  公开（公告）日：2013-12-26

  The invention relates to a process for synthesizing a nitrile-fatty acid (heminitrile) from unsaturated fatty acids, in the form of an acid or a simple ester or a “complex” ester of triglyceride type, which is first of all converted into an unsaturated fatty nitrile which is subjected to oxidative cleavage using H 2 O 2 as oxidizing agent. This process can be used for preparing polyamide monomers, such as ω-amino acids or diamines or diacids equivalent to said heminitrile and for obtaining polyamides from raw materials which are of natural origin and from a renewable source.

  该发明涉及一种从不饱和脂肪酸合成一种腈基脂肪酸（半腈）的方法，该脂肪酸以酸或简单酯或三酸甘油酯型“复合”酯的形式存在，首先转化为不饱和脂肪腈，然后使用H2O2作为氧化剂进行氧化裂解。该方法可用于制备聚酰胺单体，如ω-氨基酸或二胺或与所述半腈等效的二酸，并从天然来源和可再生来源的原材料获得聚酰胺。
• Compositions comprising reverse isomers of conjugated linoleic acid
  申请人：Saebo Asgeir

  公开号：US20050215641A1

  公开（公告）日：2005-09-29

  The present invention relates to the field of human and animal nutrition, and in particular to certain novel compositions of conjugated linoleic acids (CLA). In particular, the present invention relates to CLA compositions comprising the c10,t12, c10,c12, t9,c11 and c9,c11 isomers of conjugated linoleic acid.

  本发明涉及人类和动物营养领域，特别是某些新颖的共轭亚油酸（CLA）组合物。具体而言，本发明涉及包含共轭亚油酸的c10,t12、c10,c12、t9,c11和c9,c11异构体的CLA组合物。
• [EN] PRODUCTION AND PURIFICATION OF ESTERS OF CONJUGATED LINOLEIC ACIDS<br/>[FR] FABRICATION ET PURIFICATION D'ESTERS D'ACIDES LINOLEIQUES CONJUGUES
  申请人：STEPAN CO

  公开号：WO2005067888A1

  公开（公告）日：2005-07-28

  A process to refine esters of conjugated linoleic acids via distillation in a single or multi-pass distillation operation is provided. Thermal rearrangement of conjugated linoleic acid components during distillation is prevented or reduced by the use of a low residence time and/or reduced pressure distillation apparatus. A process to produce refined esters of conjugated linoleic acids is also provided. The process transesterifies a linoleic acid-containing oil to generate an alkyl ester composition which further undergoes isomerization at a temperatures typically between about 90-140 °C to form an ester stream containing conjugated linoleic acid esters, which is then distilled to obtain the refined esters of conjugated linoleic acids. The transesterification and isomerization steps can be performed in one reaction vessel without an intervening distillation step. The transesterification and isomerization steps can occur concurrently in a continuous reaction system using a dual reaction zone apparatus. Refined ester compositions produced by the processes and enriched in desirable conjugated linoleic acid isomers are also contemplated.

  提供了一种通过单通或多通蒸馏操作来精制共轭亚油酸酯的过程。通过使用低停留时间和/或降低压力的蒸馏设备，可以防止或减少共轭亚油酸组分在蒸馏过程中的热重排。还提供了一种生产精制共轭亚油酸酯的过程。该过程通过酯交换将含亚油酸的油转化为生成烷基酯组合物，然后在通常在约90-140°C之间的温度下进行异构化，形成含有共轭亚油酸酯的酯流，然后对其进行蒸馏以获得精制的共轭亚油酸酯。酯交换和异构化步骤可以在一个反应容器中进行，而无需中间的蒸馏步骤。酯交换和异构化步骤可以在连续反应系统中同时进行，使用双反应区设备。此外，还考虑了由这些过程产生的富含理想共轭亚油酸异构体的精制酯组合物。