1,5-二甲基己-4-烯基乙酸酯 | 19162-00-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1,5-二甲基己-4-烯基乙酸酯
• 英文名称: sulcatol acetate
• 英文别名: 1,5-dimethylhex-4-en-1-yl acetate；2-methyl-2-hepten-6-yl acetate；2-acetoxy-6-methyl-hept-5-ene；6-acetoxy-2-methyl-2-heptene；2-acetyl-6-methyl-5-heptene；methylheptenyl acetate；6-Methylhept-5-en-2-yl acetate
• CAS: 19162-00-6
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: ZAKWGQOSOHQPJA-UHFFFAOYSA-N

物化性质

• 沸点：
  85-86 °C(Press: 17 Torr)
• 密度：
  0.884 g/cm3(Temp: 22.5 °C)
• LogP：
  3.06
• 物理描述：
  Liquid
• 溶解度：
  Insoluble in water; soluble in non-polar solvents
• 折光率：
  1.420-1.429

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915390090

反应信息

• 作为反应物：
  描述：

  1,5-二甲基己-4-烯基乙酸酯 在 铂 chromium(VI) oxide 、 氢气 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 27.0 ℃ 、94.66 kPa 条件下， 反应 48.0h， 生成 5-Cyano-5-hydroxy-2-isopropyl-5-methyl-pentanoic acid methyl ester
  参考文献：
  名称：

  Randad, R. S.; Kulkarni, G. H., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1985, vol. 24, p. 225 - 227

  摘要：

  DOI：
• 作为产物：
  描述：

  6-hydroxy-6-methylheptan-2-yl acetate 在 tetrafluoroboric acid 、 potassium tert-butylate 、 三氯氧磷 作用下， 以 吡啶 、 乙醚 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 39.5h， 生成 1,5-二甲基己-4-烯基乙酸酯
  参考文献：
  名称：

  关于萜烯衍生物中消除反应的区域选择性

  摘要：

  DOI：

  10.1016/s0040-4020(88)90028-2

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• Direct Epoxidation of Olefins Catalyzed by Nickel(II) Complexes with Molecular Oxygen and Aldehydes
  作者：Tohru Yamada、Toshihiro Takai、Oliver Rhode、Teruaki Mukaiyama

  DOI：10.1246/bcsj.64.2109

  日期：1991.7

  In the presence of a bis(1,3-diketonato)nickel(II) complex, various olefins are directly monooxygenated into the corresponding epoxides on treatment with atmospheric pressure of oxygen or air and aldehydes. Especially, it is noted that bis[1,3-bis(p-methoxyphenyl)-1,3-propanedionato]nickel(II) behaves as an excellent catalyst in the present epoxidation.

  在双(1,3-二酮基)镍(II)配合物存在下，各种烯烃在氧气或空气和醛的常压处理下直接单氧化成相应的环氧化物。特别值得注意的是，双[1,3-双(对甲氧基苯基)-1,3-丙二酮基]镍(II)在本环氧化反应中是一种极好的催化剂。
• Essential Oil of Aristolochia trilobata: Synthesis, Routes of Exposure, Acute Toxicity, Binary Mixtures and Behavioral Effects on Leaf-Cutting Ants
  作者：Bruna de Oliveira、Carlisson Melo、Péricles Alves、Abraão Santos、Ane Santos、Alisson Santana、Ana Araújo、Pedro Nascimento、Arie Blank、Leandro Bacci

  DOI：10.3390/molecules22030335

  日期：——

  Plants of the genus Aristolochia have been frequently reported as important medicinal plants. Despite their high bioactive potential, to date, there are no reports of their effects on leaf-cutting ants. Therefore, the present study aimed to evaluate the insecticidal activity of the essential oil of Aristolochia trilobata and its major components on Atta sexdens and Acromyrmex balzani, two species of leaf-cutting ants. The bioassays were performed regarding routes of exposure, acute toxicity, binary mixtures of the major components and behavioral effects. Twenty-five components were identified in the essential oil of A. trilobata using a gas chromatographic system equipped with a mass spectrometer and a flame ionization detector. The components found in higher proportions were sulcatyl acetate, limonene, p-cymene and linalool. The essential oil of A. trilobata and its individual major components were efficient against A. balzani and A. sexdens workers when applied by fumigation. These components showed fast and efficient insecticidal activity on ants. The components acted synergistically and additively on A. balzani and A. sexdens, respectively, and caused a strong repellency/irritability in the ants. Thus, our results demonstrate the great potential of the essential oil of A. trilobata and its major components for the development of new insecticides.

  植物属阿魏草（Aristolochia）的植物常被报道为重要的药用植物。尽管它们具有很高的生物活性潜力，但迄今为止，尚无关于它们对采叶蚁的影响的报告。因此，本研究的目的是评估阿魏草（Aristolochia trilobata）精油及其主要成分对两种采叶蚁（Atta sexdens 和 Acromyrmex balzani）的杀虫活性。生物测定实验涉及暴露途径、急性毒性、主要成分的二元混合物和行为影响。使用配备质谱仪和火焰离子化检测器的气相色谱系统，鉴定了阿魏草精油中的25个成分。发现含量较高的成分包括苯乙酰乙酸酯（sulcatyl acetate）、柠檬烯（limonene）、对氟甲苯（p-cymene）和香叶醇（linalool）。阿魏草的精油及其各个主要成分在熏蒸方式下对A. balzani和A. sexdens工蚁表现出良好的效果。这些成分对蚂蚁显示出快速有效的杀虫活性。不同成分在A. balzani和A. sexdens上表现出协同和叠加作用，并导致蚂蚁产生强烈的排斥/刺激反应。因此，我们的研究结果表明阿魏草精油及其主要成分在开发新型杀虫剂方面具有极大的潜力。
• Odoriferous Cyclic Ethersvia Co-Halogenation Reaction: Facile Preparation of Nerol Oxide,Florol®,Florol® Methyl Ether, andPityol® Methyl Ether
  作者：Pankaj Gupta、Vijay K. Sethi、Subhash C. Taneja、Bhahwal A. Shah、Samar S. Andotra、Surrinder Koul、Swapandeep S. Chimni、Ghulam N. Qazi

  DOI：10.1002/hlca.200790016

  日期：2007.1

  A series of odoriferous cyclic ethers, including nerol oxide (1), Florol® (2), Florol methyl ether (3), and Pityol® methyl ether (4b), were prepared by a versatile synthetic protocol based on co-halogenation with 1,3-dibromo-5,5-dimethylhydantoin (= 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; DDH) as the key step. The methodology provides a facile access to important perfumery molecules from abundantly

  一系列有气味的环醚，包括橙花醇氧化物（的1），Florol ®（2），Florol甲基醚（3），和Pityol ®甲基醚（图4b）中，通过制备一种多用途的基于共卤化1合成的协议关键步骤是1,3-二溴-5,5-二甲基乙内酰脲（= 1,3-二溴-5,5-二甲基咪唑烷-2,4-二酮; DDH）。该方法提供了从丰富的单萜醇中轻松获取重要香料分子的途径。
• Basic elimination of sulfonium salts. Neighbouring group influence on regioselectivity.
  作者：B. Badet、M. Julia、J.M. Mallet、C. Schmitz

  DOI：10.1016/s0040-4039(00)88333-1

  日期：1983.1

  A simple preparation of sulfonium salts functionalized by oxygenated groups is reported. The nature and the position of the latter control the regiochemistry of elimination of the sulfonium moiety leading to selective formation of Saytsev or Hofmann olefins.

  据报道，一种被氧化基团官能化的sulf盐的简单制备方法。后者的性质和位置控制消除chemistry部分的区域化学反应，从而导致形成Saytsev或Hofmann烯烃的选择性形成。