2-乙基-5-己烯-1-醇 | 270594-13-3

• 物质功能分类: 化学试剂 - 有机试剂 - 烯烃（环状与无环状）
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-乙基-5-己烯-1-醇
• 英文名称: 2-ethylhex-5-en-1-ol
• CAS: 270594-13-3
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: SKGWHSIXVYWAOD-UHFFFAOYSA-N

物化性质

• 沸点：
  181.6±19.0 °C(Predicted)
• 密度：
  0.834±0.06 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-乙基-5-己烯-1-醇 在 吡啶 、 sodium tetrahydroborate 、 对苯醌 、 palladium dichloride 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 单(2-乙基-5-羟基己基)邻苯二甲酸酯
  参考文献：
  名称：

  Synthesis of DEHP metabolites as biomarkers for GC–MS evaluation of phthalates as endocrine disrupters

  摘要：

  Phthalates are used primarily as plasticizers to make polyvinyl chloride (PVC) soft and flexible. In recent years the phthalate esters have attracted increasing attention as environmental and biomedical pollutants and, because of their toxicological characteristics. In particular, they are more and more recognized as endocrine disrupters. In this context, we describe herein an efficient synthetic pathway leading to a series of metabolites of di(2-ethylhexyl) phthalate (DEHP). Mono(2-ethylhexenyl) phthalate was used as starting material to obtain these products in good yield, large scale and GC-MS purity. The metabolites of DEHP were synthesized, for the first time, as biomarkers to verify their quantitative determination in human urine and serum by GC-MS analysis for studying the exposure to phthalates and establishing reference values. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.005
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 1.0h， 生成 2-乙基-5-己烯-1-醇
  参考文献：
  名称：

  甲硅烷基烯醇醚上的氨基自由基环化中独特的非对映选择性趋势

  摘要：

  以氮为中心的基团在甲硅烷基烯醇醚上的环化是合成多羟基化生物碱的有效方法，因为可以从线性前体容易地获得2-羟基甲基吡咯烷核。在我们对多羟基生物碱CYB-3合成的研究中，我们发现环化的非对映选择性取决于立体位和烯烃几何结构的复杂组合。对导致高非对映选择性的因素的更透彻的理解将极大地扩展这种方法在复杂的天然产物合成中的实用性。我们已经发现具有烷基或芳基取代的底物的环化非对映选择性极好，而与烯烃的几何形状或取代方式无关。当在甲硅烷基烯醇醚附近引入带负电的取代基时，Z-甲硅烷基烯醇醚提供高的非对映选择性。温度，甲硅烷基的空间大小以及金属氢化物的空间和电子特性在较小程度上影响选择性。

  DOI：

  10.1021/jo902426z

文献信息

• Synthesis and surfactant properties of symmetric and unsymmetric sulfosuccinic diesters, Aerosol-OT homologues
  作者：Krystyna Baczko、Xavier Chasseray、Chantal Larpent

  DOI：10.1039/b104167n

  日期：2001.11.1

  The synthesis and surfactant behaviour of two series of sulfosuccinic diesters, AOT-related compounds, are described [Aerosol-OT 1: sodium bis(2-ethylhexyl) sulfosuccinate]. The first family contains unsaturated, racemic or enantiopure, 2-ethylhex(en)yl chains with various positions of the double bond. These compounds are readily prepared from the corresponding unsaturated alcohol by the standard two-step procedure; their critical micelle concentrations are higher than those of normal AOT and depend on the position of the double bond. The second series consists of nonsymmetric homologues with two different substituents: various unsymmetrical sulfosuccinic diesters with two enantiopure saturated or unsaturated chains of opposite configuration, or with two different substituents like methyl and 2-ethylhexyl, hydrogenated and deuterated chains as well as saturated and unsaturated chains are described. These unsymmetrical sulfosuccinic diesters are readily obtained in a three-step synthetic procedure involving the regiospecific sulfonation of maleic monoester in aqueous medium. The structure of the sodium 4-alkyl-2-sulfosuccinic acid key intermediate is unambiguously resolved by NMR comparative analysis of the hydrogenated and deuterated derivatives. The surfactant behaviour of some unsymmetrical compounds is studied.

  描述了两类磺基琥珀酸二酯的合成和表面活性剂行为，这些化合物与AOT相关【Aerosol-OT 1：双(2-乙基己基)磺基琥珀酸盐】。第一类包含不饱和的、外消旋或对映纯的2-乙基己(烯)基链，双键的位置各不相同。这些化合物可以通过标准的两步法从相应的不饱和醇中容易地制备而成；它们的临界微胞浓度高于常规AOT，并且取决于双键的位置。第二类由两种不同取代基的非对称同系物组成：描述了带有两条对映纯饱和或不饱和链的各种不对称磺基琥珀酸二酯，具有相反构型，或带有两种不同取代基如甲基和2-乙基己基，氢化和氘化链以及饱和和不饱和链。这些不对称磺基琥珀酸二酯可以通过一种三步合成程序轻松获得，该程序涉及在水相中对马来酸单酯的区域特异性磺化。通过氢化和氘化衍生物的NMR比较分析，明确解析了钠盐4-烷基-2-磺基琥珀酸的关键中间体的结构。对一些不对称化合物的表面活性剂行为进行了研究。
• Comparative Effects of Di-(2-ethylhexyl)phthalate and Di-(2-ethylhexyl)terephthalate Metabolites on Thyroid Receptors: In Vitro and In Silico Studies
  作者：Nicolas Kambia、Isabelle Séverin、Amaury Farce、Laurence Dahbi、Thierry Dine、Emmanuel Moreau、Valérie Sautou、Marie-Christine Chagnon

  DOI：10.3390/metabo11020094

  日期：——

  Plasticizers added to polyvinylchloride (PVC) used in medical devices can be released into patients’ biological fluids. Di-(2-ethylhexyl)phthalate (DEHP), a well-known reprotoxic and endocrine disruptor, must be replaced by alternative compounds. Di-(2-ethylhexyl) terephthalate (DEHT) is an interesting candidate due to its lower migration from PVC and its lack of reprotoxicity. However, there is still

  添加到医疗器械中使用的聚氯乙烯 (PVC) 中的增塑剂可能会释放到患者的生物体液中。邻苯二甲酸二(2-乙基己基)酯 (DEHP) 是一种众所周知的生殖毒性和内分泌干扰物，必须用替代化合物替代。对苯二甲酸二(2-乙基己基)酯 (DEHT) 是一个有趣的候选者，因为它从 PVC 中的迁移率较低且缺乏生殖毒性。然而，仍然缺乏数据支持其人类代谢物在甲状腺系统中的激素特性方面的安全性。在体外和计算机模拟中比较了 DEHT 代谢物对甲状腺/激素受体 (TR) 的影响与 DEHP 的影响。 DEHT 的氧化代谢物对 T3 受体没有影响，而邻苯二甲酸 5-羟基单（乙基己基）酯 (5-OH-MEHP) 似乎主要是高于 0.2 µg/mL 的 TR 的激动剂，对 T3 具有协同作用。单酯（MEHP 和对苯二甲酸单（2-乙基己基）酯，MEHT）对 T3 受体也有活性。在体外，MEHP 是 10 至 20 µg/mL
• 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。
• 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。
• Baczko, Krystyna; Larpent, Chantal, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 3, p. 521 - 526
  作者：Baczko, Krystyna、Larpent, Chantal

  DOI：——

  日期：——

表征谱图