2-Ethyl-5-hexenoic acid | 137018-47-4

• 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-Ethyl-5-hexenoic acid
• 英文别名: 2-ethylhex-5-en-1-ol；2-ethylhex-5-enoic Acid
• CAS: 137018-47-4
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: FWUSTFBMWUQKDP-UHFFFAOYSA-N

物化性质

• 沸点：
  231.5±9.0 °C(Predicted)
• 密度：
  0.943±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  2-Ethyl-5-hexenoic acid 在 lithium aluminium tetrahydride 、 lipase from Pseudomonas species 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 50.0h， 生成 5-己烯-1-醇,2-乙基-,(2R)-
  参考文献：
  名称：

  Baczko, Krystyna; Larpent, Chantal, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 3, p. 521 - 526

  摘要：

  DOI：
• 作为产物：
  描述：

  3-丁烯基乙基丙二酸二乙酯 在 sodium hydroxide 作用下， 生成 2-Ethyl-5-hexenoic acid
  参考文献：
  名称：

  Metabolism of 2-ethylhexanol administered orally and dermally to the female Fischer 344 rat

  摘要：

  1. Excretion balance studies were conducted with 2-ethylhexanol (2-EH) in female Fischer 344 rats following single high (500 mg/kg) and low (50 mg/kg) oral doses of [C-14]2-EH, following repeated oral dosing with unlabelled 2-EH at the low level, following dermal exposure for 6 h with a 1 g/kg applied dose of [C-14]2-EH, and following a 1 mg/kg i.v. dose of [C-14]2-EH.2. The high, low and repeated low oral dose studies with 2-EH showed similar excretion balance profiles of [C-14], With some evidence of metabolic saturation at the high dose.3. No evidence of metabolic induction was seen following the repealed low oral dosing.4. All of the oral doses were eliminated rapidly, predominantly in the urine during the first 24 h following dosing.5. The dermal dosing resulted in only about 5% absorption of the 1 g/kg dose, with the major portion of the dose recovered unabsorbed from the dermal exposure cell at 6 h.6. Urinary metabolites eliminated following the oral and dermal doses were predominately glucuronides of oxidized metabolites of 2-EH, including glucuronides of 2-ethyladipic acid, 2-ethylhexanoic acid, 5-hydroxy-2-ethylhexanoic acid and 6-hydroxy-2-ethylhexanoic acid.

  DOI：

  10.3109/00498259409043246

文献信息

• Nickel-Catalyzed <i>anti</i>-Markovnikov Hydrodifluoroalkylation of Unactivated Alkenes
  作者：Li-Ming Yin、Meng-Chan Sun、Xiao-Ju Si、Dandan Yang、Mao-Ping Song、Jun-Long Niu

  DOI：10.1021/acs.orglett.1c04346

  日期：2022.2.4

  An efficient Ni-catalyzed hydrodifluoroalkylation of unactivated alkenes with bromodifluoroacetate by using PhSiH3 as hydride source was developed. The transformation affords aliphatic difluorides with anti-Markovnikov regioselectivity. A wide range of highly remote alkenes, simple alkenes, drug molecules, commercially available CF2 precursors, and even nonfluorinated substrates are competent in this

  通过使用PhSiH 3作为氢化物源，开发了一种有效的Ni 催化的未活化烯烃与溴二氟乙酸盐的氢二氟烷基化反应。该转化提供了具有抗马尔科夫尼科夫区域选择性的脂肪族二氟化物。广泛的高度远程烯烃、简单烯烃、药物分子、市售CF 2前体，甚至非氟化底物在温和条件下都能胜任该反应，证明了该策略的实用性。此外，机理研究表明，二氟烷基自由基可能是这种转变的关键中间体。
• Synthesis of fluoroalkyl-δ-lactones from polyfluoroalkyl iodides and 5-hexenoic acids
  作者：Xiang Fang、Qi Ying、Yang Chen、Xueyan Yang、Xianjin Yang、Fanhong Wu

  DOI：10.1016/j.jfluchem.2007.12.004

  日期：2008.4

  The polyfluoroalkyl-lactonization of 5-hexenoic acids with the polyfluoroalkyl iodides initiated by sodium dithionite was carried out in aqueous acetonitrile, providing an efficient method for the synthesis of fluorine-containing δ-valerolactones. Formation of RfCH2CHCH(CH2)2COOH appeared to be unexpected minor product in sulfinatodehalogenation reagents.

  在乙腈水溶液中，用连二亚硫酸钠引发的多氟烷基碘将5-己酸的多氟烷基内酯化，为合成含氟δ-戊内酯提供了一种有效的方法。R f CH 2 CHCH（CH 2）2 COOH的形成似乎是磺胺脱卤试剂中意想不到的次要产物。
• Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP1186619A2

  公开（公告）日：2002-03-13

  The present invention is intended to provide a polar group-containing olefin copolymer having excellent adhesion properties to metals or polar resins and excellent compatibility therewith, a process for preparing the copolymer, a thermoplastic resin composition containing the copolymer, and uses thereof. The polar group-containing olefin copolymer comprises a constituent unit derived from an α-olefin of 2 to 20 carbon atoms, and a constituent unit derived from a straight-chain, branched or cyclic polar group-containing monomer having at the end a polar group such as a hydroxyl group or an epoxy group and/or a constituent unit derived from a macromonomer having at the end a polymer segment obtained by anionic polymerization, ring-opening polymerization or polycondensation. The polar group-containing olefin copolymer can be prepared by polymerizing the α-olefin with the polar group-containing monomer and/or the macromonomer in the presence of a metallocene catalyst. The polar group-containing olefin copolymer and the thermoplastic resin composition containing the copolymer are used for films, sheets, modifiers, building/civil engineering materials, automobile exterior trim, electric/electronic parts, coating bases, compatibilizing agents, etc.

  本发明旨在提供一种对金属或极性树脂具有极佳粘附性和相容性的含极性基团的烯烃共聚物、制备该共聚物的工艺、含有该共聚物的热塑性树脂组合物及其用途。含极性基团的烯烃共聚物包括一个由 2 至 20 个碳原子的 α-烯烃衍生的组成单元和一个由直链、支链或环状含极性基团单体衍生的组成单元，直链、支链或环状含极性基团单体的末端具有极性基团，如羟基或环氧基，和/或一个由大单体衍生的组成单元，大单体的末端具有通过阴离子聚合、开环聚合或缩聚反应获得的聚合物段。含极性基团的烯烃共聚物可通过在茂金属催化剂存在下使α-烯烃与含极性基团的单体和/或大单体聚合来制备。含极性基团的烯烃共聚物和含有该共聚物的热塑性树脂组合物可用于薄膜、板材、改性剂、建筑/土木工程材料、汽车外饰、电气/电子零件、涂层基料、相容剂等。
• COPOLYMER OF OLEFIN AND UNSATURATED CARBOXYLIC ACID OR UNSATURATED CARBOXYLIC ACID DERIVATIVE
  申请人：China Petroleum & Chemical Corporation

  公开号：EP3702381A1

  公开（公告）日：2020-09-02

  The present invention provides a copolymer of an olefin and an unsaturated carboxylic acid or an unsaturated carboxylic acid derivative, said copolymer being a spherical and/or spherical-like polymer. The copolymer provided by the invention exhibits a good morphology and has good prospects in industrial use.

  本发明提供了一种烯烃与不饱和羧酸或不饱和羧酸衍生物的共聚物，所述共聚物为球形和/或类球形聚合物。本发明提供的共聚物具有良好的形态，在工业应用中具有良好的前景。
• Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof
  申请人：——

  公开号：US20020156207A1

  公开（公告）日：2002-10-24

  The present invention is intended to provide a polar group-containing olefin copolymer having excellent adhesion properties to metals or polar resins and excellent compatibility therewith, a process for preparing the copolymer, a thermoplastic resin composition containing the copolymer, and uses thereof. The polar group-containing olefin copolymer comprises a constituent unit derived from an &agr;-olefin of 2 to 20 carbon atoms, and a constituent unit derived from a straight-chain, branched or cyclic polar group-containing monomer having at the end a polar group such as a hydroxyl group or an epoxy group and/or a constituent unit derived from a macromonomer having at the end a polymer segment obtained by anionic polymerization, ring-opening polymerization or polycondensation. The polar group-containing olefin copolymer can be prepared by polymerizing the &agr;-olefin with the polar group-containing monomer and/or the macromonomer in the presence of a metallocene catalyst. The polar group-containing olefin copolymer and the thermoplastic resin composition containing the copolymer are used for films, sheets, modifiers, building/civil engineering materials, automobile exterior trim, electric/electronic parts, coating bases, compatibilizing agents, etc.

  本发明旨在提供一种对金属或极性树脂具有极佳粘附性能和极佳相容性的含极性基团的烯烃共聚物、制备该共聚物的工艺、含有该共聚物的热塑性树脂组合物及其用途。含极性基团的烯烃共聚物包括一个由 2 至 20 个碳原子的&agr;-烯烃衍生的组成单元，以及一个由直链、支链或环状含极性基团单体衍生的组成单元，该单体末端具有极性基团，如羟基或环氧基，和/或一个由大单体衍生的组成单元，该大单体末端具有通过阴离子聚合、开环聚合或缩聚反应获得的聚合物段。含极性基团的烯烃共聚物可通过在茂金属催化剂存在下，将&agr;-烯烃与含极性基团的单体和/或大单体进行聚合来制备。含极性基团的烯烃共聚物和含有该共聚物的热塑性树脂组合物可用于薄膜、板材、改性剂、建筑/土木工程材料、汽车外饰、电气/电子零件、涂层基料、相容剂等。