(E)-2-甲基-2-丁烯酸己酯 | 16930-96-4

• 物质功能分类: 香精与香料 - 合成香料 - 羧酸及酯类香料
• 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: (E)-2-甲基-2-丁烯酸己酯
• 英文名称: hexyl tiglate
• 英文别名: hexyl angelate；hexyl (E)-2-methylbut-2-enoate
• CAS: 16930-96-4
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: JTCIUOKKVACNCK-BJMVGYQFSA-N

物化性质

• 沸点：
  108 °C16 mm Hg(lit.)
• 密度：
  0.894 g/mL at 25 °C(lit.)
• 闪点：
  209 °F
• 溶解度：
  Insoluble in water, soluble in alcohol and oils.
• LogP：
  4.263 (est)
• 保留指数：
  1316;1310;1310;1316;1306;1310

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• RTECS号：
  GQ5780000
• 海关编码：
  2916190090

反应信息

• 作为产物：
  描述：

  (2E)-hexenyl tiglate 在 RhCl(PPh₃)3 氢气 作用下， 以 苯 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 反应 15.0h， 以93%的产率得到(E)-2-甲基-2-丁烯酸己酯
  参考文献：
  名称：

  Total Syntheses of Ipomoeassin B and E

  摘要：

  A concise, flexible, and efficient total synthesis of the cytotoxic resin glycosides ipomoeassin B (1) and ipomoeassin E (2) is reported which features the advantages of a novel protecting group strategy employing (Z)-3-dimethyl(phenyl)silyl-2-propenoic acid as cinnamic acid surrogate. The use of this readily available compound allowed the macrocycle of the glycolipids to be formed by ring closing olefin metathesis (RCM) with the aid of the second generation Grubbs carbene complex 12. The resulting E/Z mixture could be selectively hydrogenated using Wilkinson's catalyst [RhCl(PPh3)(3)] without affecting the unsaturated esters in the periphery of the compound, before the C-silyl group was cleaved off with TASF [tris(dimethylamino)sulfonium difluorotrimethylsilicate] under notably mild conditions to release the required cinnamate moiety. Other key steps of the synthesis route comprise the formation of the disaccharide linkage by the trichloroacetimidate method, the formation of the chiral acid segment 19 via a VO(acac)(2)-catalyzed, tert-BuOOH-induced oxidative rearrangement of the optically pure furyl alcohol (-)-15 (Achmatowicz-type reaction), and a reductive cleavage of the 4,6-O-p-methoxybenzylidene acetal in 5 with NaBH3CN and Me3SiCl (TMSCl), the regiochemical course of which was found to be opposite to that previously reported in the literature for sterically less encumbered substrates.

  DOI：

  10.1021/ja068901g

文献信息

• [EN] POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF<br/>[FR] LIQUIDES IONIQUES POLYMÈRES, LEURS PROCÉDÉS DE FABRICATION ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV TOLEDO

  公开号：WO2010017563A1

  公开（公告）日：2010-02-11

  Polymeric ionic liquids, methods of making and methods of using the same are disclosed.

  聚合物离子液体的制备方法和使用方法被披露。
• CYCLOPROPANE COMPOUND
  申请人：Kao Corporation

  公开号：US20190055179A1

  公开（公告）日：2019-02-21

  Provided are a compound and a fragrance composition that are excellent in harmony with various other fragrance materials and can be blended to impart a natural and fresh floral feeling. The present invention provides a cyclopropane compound represented by Formula (I) and a fragrance composition containing a cyclopropane compound represented by Formula (I): where R 1 is a methyl group and R 2 is a methyl group, or R 1 is a hydrogen atom and R 2 is an ethyl group.

  提供了一种化合物和香料组合物，与各种其他香料材料协调良好，可以混合使用，赋予自然和清新的花香感。本发明提供了一种由式（I）表示的环丙烷化合物和含有由式（I）表示的环丙烷化合物的香料组合物：其中R1为甲基基团，R2为甲基基团，或者R1为氢原子，R2为乙基基团。
• [EN] CELLULOSIC MATERIAL PRESERVATIVES CONTAINING DISACCHARIDE<br/>[FR] CONSERVATEURS DE MATIÈRE CELLULOSIQUE CONTENANT UN DISACCHARIDE
  申请人：EMPIRE TECHNOLOGY DEV LLC

  公开号：WO2014018020A1

  公开（公告）日：2014-01-30

  Articles containing a cellulosic material and at least one polymer containing at least one antimicrobial disaccharide are described, as well as methods for their preparation and use.

  描述了含有纤维素材料和至少一种含有至少一种抗菌二糖聚合物的文章，以及它们的制备和使用方法。
• High refractive index triazine monomer
  申请人：——

  公开号：US20020158352A1

  公开（公告）日：2002-10-31

  The present invention relates to a triazine type monomer, and more particularly, to a 1,3,5-triazine type monomer characterized by having at least one amine group and at least two sulfur atoms, which can be used in manufacturing transparent optical resins having excellent refractive index, surface hardness and absorbance as well as an improved workability and the ability to control a wide range of refractive index according to the change in composition by the monomer itself at room temperature or by polymerizing the monomer with a comonomer in the presence of an organic solvent or an initiator.

  本发明涉及一种三嗪型单体，更具体地说，涉及一种具有至少一个胺基和至少两个硫原子的1,3,5-三嗪型单体，可用于制造具有优异的折射率、表面硬度和吸收性能以及改进的加工性能和能够在室温下通过单体本身的组成变化或在有机溶剂或引发剂的存在下与共聚单体聚合来控制广泛的折射率范围的透明光学树脂。
• PERFUME COMPOSITION
  申请人：Kotachi Shinji

  公开号：US20110071070A1

  公开（公告）日：2011-03-24

  The present invention relates to a perfume composition as a raw material of fruity perfumes which has a conventionally unknown peculiar fresh, woody, floral, grassy-leafy nuance and is capable of harmonizing with various perfumes to provide perfume preparations having a more sophisticated odor or scent. The perfume composition of the present invention includes a compound represented by the general formula (I): wherein R 1 and R 2 are each independently a hydrocarbon group having 1 to 4 carbon atoms; and R 3 is a hydrocarbon group having 2 to 4 carbon atoms.

  本发明涉及一种香水组合物，作为水果香型香水的原材料，其具有传统上未知的独特清新、木质、花香、草叶气息，并能够与各种香水协调，提供具有更复杂气味或香气的香水制剂。本发明的香水组合物包括由通式（I）表示的化合物：其中R1和R2分别是具有1至4个碳原子的烃基；而R3是具有2至4个碳原子的烃基。

表征谱图