(+/-)-2-isopropyl-5-hexenoic acid | 147120-60-3

• 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-isopropyl-5-hexenoic acid
• 英文别名: 2-(Propan-2-yl)hex-5-enoic acid；2-propan-2-ylhex-5-enoic acid
• CAS: 147120-60-3
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: DYMOTRUYHCCDDC-UHFFFAOYSA-N

物化性质

• 沸点：
  243.1±9.0 °C(Predicted)
• 密度：
  0.932±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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-isopropyl-5-hexenoic acid 在 lithium aluminium tetrahydride 、 正丁基锂 、 sodium acetate 、 二异丙胺 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 6.5h， 生成
  参考文献：
  名称：

  nor-1,6-germacradien-5-ols的全合成。

  摘要：

  描述了（+/-）-nor-1,6-germacradien-5-ols的第一个全合成。合成路线涉及用于成环的RCM方法学，以及将MeLi选择性地1,2添加到环癸烯酮中。通过更改最后合成步骤的顺序，TBSO保护的（+/-）-（1Z，6E）-nor-1,6-germacradien-5-ols（+/-）-（5S *，8R *）-获得16和-（+/-）-（5S *，8S *）-16。通过环癸烯酮的合成策略提供了通过添加其他亲核试剂制备标题化合物的不同类似物的可能性。此外，通过其羰基部分的甲基化可以从目标分子中获得正germacreneD。由异戊酸经八步合成（+/-）-nor-1,6-Germacradien-5-ol [（+/-）-（1E，5S *，6E，8S *）-2]。10元环由RCM形成，并且在最后一步中，通过高度非对映选择性地将MeLi引入（+/-）-（1E，6E）-1,6-cyclod

  DOI：

  10.1021/jo016110l
• 作为产物：
  描述：

  异戊酸乙酯 在 N,N-二甲基丙烯基脲 、 氢氧化钾 、 正丁基锂 、 potassium tert-butylate 、 水 、 二异丙胺 作用下， 反应 6.0h， 生成 (+/-)-2-isopropyl-5-hexenoic acid
  参考文献：
  名称：

  New approaches to the synthesis of alkyl-substituted enol lactone systems, inhibitors of the serine protease elastase

  摘要：

  We have synthesized a series of alkyl-substituted enol lactones designed to act as mechanism-based inhibitors of human neutrophil elastase (HLE). General methods were developed for the preparation of alpha- and beta-alkyl-substituted 5-hexynoic acids by the bromoform reaction on the corresponding alkynoic methyl ketone, prepared by an Eschenmoser-Tanabe fragmentation sequence from a suitably substituted cyclohexenone. By this method, beta-methyl- and beta,beta-dimethyl-5-hexynoic acids were synthesized from commercially available isophorone and 3,5-dimethyl-2-cyclohexen-1-one, respectively. Alpha-Substituted 5-hexynoic acids were prepared from 3-ethoxy-2-cyclohexen-1-one, using a novel ZnCl2-mediated alkylation that we developed; this method gives high yields of alpha'-alkylation products, even with secondary halides. The most efficient method for the preparation of alpha-substituted 5-hexynoic acids involved a four-reaction sequence-alkylation of the alpha-substituted ester with 1,4-dibromobutane, elimination, bromination and bisdehydrobromination-that proceeded in high overall yield. Protio enol lactonizations were performed with mercury(II) catalysis in CH2Cl2 or CH2Cl2-H2O. Stereo-selective Z-bromo enol lactonization was carried out by Br+-induced lactonization in the presence of Ag+. E-Bromo enol lactonization with N-bromosuccinimide in CH2Cl2 in the presence of a small amount of water gave better yields and shorter reaction times than the traditional anhydrous conditions. In studies of the inhibitory activity of these lactones toward several proteases (reported in full elsewhere), we found that the alpha-alkyl-substituted protio and bromo enol lactones 1-3 were very good inhibitors of HLE, with k(a)/K(i) values ranging from 14 500 to 37 500 M-1 s-1; the beta-alkyl-substituted enol lactones 5-8 showed only moderate inhibition of HLE.

  DOI：

  10.1021/jo00059a049

文献信息

• 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。
• [EN] METHOD FOR PREPARING OLEFIN-POLAR MONOMER COPOLYMER<br/>[FR] PROCÉDÉ DE PRÉPARATION D'UN COPOLYMÈRE DE MONOMÈRE POLAIRE D'OLÉFINE<br/>[ZH] 用于制备烯烃-极性单体共聚物的方法
  申请人：[en]CHINA PETROLEUM & CHEMICAL CORPORATION;[zh]中国石油化工股份有限公司

  公开号：WO2021083358A1

  公开（公告）日：2021-05-06

  一种用于制备烯烃-烯烃醇共聚物的方法及由所述方法制备的烯烃-烯烃醇共聚物。所述用于制备烯烃-烯烃醇共聚物的方法中使用的催化剂包含式I所示的二亚胺金属配合物。根据制备方法的优选实施方式制得的球形和/或类球形聚合物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：Mitsui Chemicals, Inc.

  公开号：EP1734061B1

  公开（公告）日：2010-04-07