2-isopropyl-3-methyl-crotonic acid | 17219-27-1

• 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-3-methyl-crotonic acid
• 英文别名: 2-Isopropyl-3-methyl-crotonsaeure；3-Methyl-2-propan-2-ylbut-2-enoic acid
• CAS: 17219-27-1
• 化学式: C₈H₁₄O₂
• mdl: MFCD19228728
• 分子量: 142.198
• InChiKey: XXPULUMWWQSINA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.625
• 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-3-methyl-crotonic acid 在 吡啶 、 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 4.0h， 生成 α-Isopropyl-seniciosaeurechlorid
  参考文献：
  名称：

  Axially chiral thioamides of acrylic acid: correlated and uncorrelated internal rotations

  摘要：

  In acrylic thioamides (Scheme 1), two intramolecular motions are possible: thiocarbonyl-nitrogen (=C-N) and alkenyl-carbonyl (=C-C=) rotations. Since the two mobile molecular fragments can interact by steric and by resonance effects, we intended to demonstrate the existence of correlated in addition to the above uncorrelated motions. For each of the three thioamides chosen, at least two of the four stereoisomers were enriched by crystallization and by liquid chromatography on nonracemic sorbents. Thereby axial chirality of acrylic thioamides was proven for the first time. Thermal equilibrations were monitored quantitatively by time-dependent H-1 NMR spectroscopy in the presence of a nonracemic additive, a method which, to our knowledge, has not previously been described. These kinetic results were evaluated by a simulation program with reference to uncorrelated and correlated rotations (Figs. 4-6). We have shown that all of these motions occur in thioamide 14. The enantiomers of thioamide 13 do not interconvert directly. However, indirect, two-step enantiomerizations in 13 have been proven one of the two steps consisting of correlated rotations. The latter are, therefore, possible in acrylic thioamides, a class of compounds which differ considerably from the molecules for which correlated motions were hitherto known. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00373-5
• 作为产物：
  描述：

  2,4-dibromo-2,5-dimethyl-hexan-3-one 在 sodium hydroxide 、 乙醚 作用下， 生成 2-isopropyl-3-methyl-crotonic acid
  参考文献：
  名称：

  The Rearrangement of α,α'-Dibromoketones¹

  摘要：

  DOI：

  10.1021/ja01158a085

文献信息

• Palladium-Catalyzed Visible-Light-Driven Carboxylation of Aryl and Alkenyl Triflates by Using Photoredox Catalysts
  作者：Katsuya Shimomaki、Tomoya Nakajima、Joaquim Caner、Naoyuki Toriumi、Nobuharu Iwasawa

  DOI：10.1021/acs.orglett.9b01340

  日期：2019.6.21

  A visible-light-driven carboxylation of aryl and alkenyl triflates with CO2 is developed by using a combination of Pd and photoredox catalysts. This reaction proceeds under mild conditions and can be applied to a wide range of substrates including acyclic alkenyl triflates.

  通过使用Pd和光氧化还原催化剂的组合，可见光驱动的芳基和烯基三氟甲磺酸酯与CO 2的羧化反应。该反应在温和的条件下进行，可用于多种底物，包括无环烯基三氟甲磺酸酯。
• Furuhata, Akimichi; Hirano, Masachika; Fujimoto, Izumi, Agricultural and Biological Chemistry, 1987, vol. 51, # 6, p. 1633 - 1640
  作者：Furuhata, Akimichi、Hirano, Masachika、Fujimoto, Izumi、Matsui, Masano

  DOI：——

  日期：——
• FURUHATA, AKIMICHI;HIRANO, MASACHIKA;FUJIMOTO, IZUMI;MATSUI, MASANAO, AGR. AND BIOL. CHEM., 51,(1987) N 6, 1633-1640
  作者：FURUHATA, AKIMICHI、HIRANO, MASACHIKA、FUJIMOTO, IZUMI、MATSUI, MASANAO

  DOI：——

  日期：——
• US7176195B2
  申请人：——

  公开号：US7176195B2

  公开（公告）日：2007-02-13
• [EN] FUNCTIONALIZED CELLULOSE NANOCRYSTALS, A METHOD FOR THE PREPARATION THEREOF AND USE OF FUNCTIONALIZED CELLULOSE NANOCRYSTALS IN COMPOSITES AND FOR GRAFTING<br/>[FR] NANOCRISTAUX DE CELLULOSE FONCTIONNALISÉS, LEUR PROCÉDÉ DE PRÉPARATION ET UTILISATION DE NANOCRISTAUX DE CELLULOSE FONCTIONNALISÉS DANS DES COMPOSITES ET POUR LE GREFFAGE
  申请人：SWETREE TECHNOLOGIES AB

  公开号：WO2014070092A1

  公开（公告）日：2014-05-08

  The present invention relates to a cellulose nanocrystal functionalized with a group R, a method for preparation of cellulose nanocrystals that are functionalized with one or more groups R and use of functionalized cellulose nanocrystals in composites and for grafting. The aim of the invention is to offer more rapid and simplified methods to generate functional CNC with high degree of reactive groups on the surface. Furthermore, there is a need for functional CNCs with groups on the surface that can be used in composite materials and where the reactive group can work as coupling agents, initiators for polymer grafting or as crosslinkers. This is achieved by a method for preparation of cellulose nanocrystals that are functionalized with one or more groups R, wherein the method comprises the steps of: a) providing cellulose; b) treating the cellulose with an acidic water solution; c) removing the acidic water solution; d) adding a solution comprising an organic acid; e) reacting the mixture obtained in step d).