2-乙基己酸烯丙酯 | 58105-49-0

• 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-乙基己酸烯丙酯
• 英文名称: allyl 2-ethylhexanoate
• 英文别名: 2-ethyl-hexanoic acid allyl ester；2-Aethyl-hexansaeure-allylester；2-Ethylcapronsaeureallylester；prop-2-enyl 2-ethylhexanoate
• CAS: 58105-49-0
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: ZEDLAAYLXASWJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  8
• 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

反应信息

• 作为反应物：
  描述：

  乙醚 、 2-乙基己酸烯丙酯 、 phenylmagnesium bromide 生成 烯丙苯 、 3-乙基己酸 、 alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Mechanism of the Reaction between Hindered Carbonyl Compounds and the Grignard Reagent. II¹

  摘要：

  DOI：

  10.1021/ja01264a043
• 作为产物：
  描述：

  2-propenyl (3S,5R,6R)-2,2-dimethyl-6-(phenylacetamido)-7-oxopenam-3-carboxylate 在 四(三苯基膦)钯 、 potassium 2-ethylhexanoate 、 三苯基膦 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以94%的产率得到Penicillin G potassium
  参考文献：
  名称：

  Homogeneous, palladium(0)-catalyzed exchange deprotection of allylic esters, carbonates and carbamates

  摘要：

  DOI：

  10.1021/jo00342a048

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。
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：GIVAUDAN SA

  公开号：WO2011073387A1

  公开（公告）日：2011-06-23

  A process for the preparation of β,γ-unsaturated-γ,γ-disubstituted esters 1 with high E/Z- and β,γ/α,β-ratios, Formula (1) by reacting at a temperature of between about 130 and 170 degrees centigrade the conjugated malonate Formula (3) with, a group I, II or III metal halide or an organic cation/halide anion pair, an inorganic proton source and a polar solvent.

  一种制备具有高E/Z-和β,γ/α,β比率的β,γ-不饱和-γ,γ-二取代酯1的方法，通过在约130至170摄氏度的温度下，将共轭马隆酸酯式（3）与I、II或III族金属卤化物或有机阳离子/卤离子对、无机质子源和极性溶剂反应，得到化学式（1）。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Allylation of Alcohols and Carboxylic Acids with Allyl Acetate Catalyzed by [Ir(cod)₂]⁺BF₄^- Complex
  作者：Hideto Nakagawa、Tomotaka Hirabayashi、Satoshi Sakaguchi、Yasutaka Ishii

  DOI：10.1021/jo049828k

  日期：2004.5.1

  allyl acetate was developed by the use of [Ir(cod)2]+BF4- complex. For instance, the reaction of allyl acetate with n-octyl alcohol in the presence of a catalytic amount of [Ir(cod)2]+BF4- complex afforded allyl octyl ether in quantitative yield. Allyl carboxylates were also prepared by the exchange reaction between carboxylic acids and allyl acetate in good yields. The [Ir(cod)2]+BF4- complex catalyzed

  对于烯丙基烷基醚的从与乙酸烯丙基酯的醇合成一种简便方法是通过使用开发的[Ir（COD）2 ] + BF 4 -复合物。例如，乙酸烯丙酯的反应与Ñ辛基醇在催化量的存在下的[Ir（COD）2 ] + BF 4 -复杂，得到烯丙基辛基醚，定量产率。还通过羧酸和乙酸烯丙酯之间的交换反应以高收率制备羧酸烯丙酯。所述的[Ir（COD）2 ] + BF 4 - 该配合物催化烷基胺和芳族胺与乙酸烯丙酯的反应，以公平至良好的收率得到相应的烯丙基胺。
• UV ABSORBER FORMULATIONS
  申请人：Acker Stephanie

  公开号：US20100111884A1

  公开（公告）日：2010-05-06

  Disclosed is a UV filter composition comprising (a) an organic UV absorber of formula (1), wherein R 1 and R 2 , independently of one another, are C 3 -C 18 alkyl; C 2 -C 18 alkenyl; a radical of the formula —CH 2 —CH(OH)—CH 2 —O-T 1 ; or R 1 and R 2 are a radical of the formula (4a); R 7 is a direct bond; a straight-chain or branched C 1 -C 4 alkylene radical or a radical of the formula (I) or (II); R 8 , R 9 and R 10 , independently of one another, are C 1 -C 18 alkyl; C 1 -C 18 alkoxy or a radical of the formula (III); R 11 is C 1 -C 5 alkyl; m 1 is a number from 1 to 4; p 1 is 0; or a number from 1 to 5; A 1 is a radical of the formula (1b), (1c) or (1d); R 3 is hydrogen; C 1 -C 10 alkyl; —(CH 2 CHR 5 —O)n 1 -T 2 ; or —CH 2 —CH(—OH)—CH 2 —O-T 2 ; R 4 is hydrogen; M; C 1 -C 5 alkyl; or —(CH 2 )m 2 —O-T 3 ; R 5 is hydrogen; or methyl; T 1 , T 2 and T 3 independently from each other are hydrogen; or C 1 -C 18 alkyl; Q 1 is C 1 -C 18 alkyl, M is a metal cation; m 2 is 1 to 4; and n 1 is 1-16, (b) dimethyl capramide, (c) a cosmetically acceptable carrier; and water.

  本发明公开了一种紫外线过滤组合物，包括（a）式（1）的有机紫外线吸收剂，其中R1和R2独立地是C3-C18烷基；C2-C18烯基；式—CH2—CH（OH）—CH2—O-T1的基团；或者R1和R2是式（4a）的基团；R7是直链或支链C1-C4烷基、式（I）或（II）的基团；R8、R9和R10独立地是C1-C18烷基、C1-C18烷氧基或式（III）的基团；R11是C1-C5烷基；m1是1至4的数字；p1是0或1至5的数字；A1是式（1b）、（1c）或（1d）的基团；R3是氢、C1-C10烷基、式—（CH2CHR5—O）n1-T2或式—CH2—CH（—OH）—CH2—O-T2；R4是氢、M、C1-C5烷基或式—（CH2）m2—O-T3；R5是氢或甲基；T1、T2和T3互相独立地是氢或C1-C18烷基；Q1是C1-C18烷基，M是金属阳离子；m2是1至4的数字；n1是1-16，（b）二甲基辛酰胺，（c）化妆品可接受载体；和水。