2-甲基烯丙基丁酸酯 | 7149-29-3

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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-甲基烯丙基丁酸酯
• 中文别名: 2-甲基-2-丙烯-1-醇丁酸酯；2-甲基烯丙醇丁酸酯
• 英文名称: 2-methyl-2-propenyl butanoate
• 英文别名: 2-methyl-2-propenyl butyrate；methallyl n-butyrate；butyric acid methallyl ester；Buttersaeure-methallylester；2-methylallyl butyrate；2-methylprop-2-enyl butanoate
• CAS: 7149-29-3
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: AHRIFIYGSJEEKU-UHFFFAOYSA-N

物化性质

• LogP：
  2.61
• 物理描述：
  Colourless liquid; powerful fruity-ethereal aroma
• 溶解度：
  Insoluble in water; soluble in oils
• 密度：
  0.873-0.883
• 折光率：
  1.422-1.428

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  2-甲基烯丙基丁酸酯 在 正丁基锂 、 三乙胺 、 二异丙胺 、 甲烷磺酰基叠氮化物 作用下， 以 四氢呋喃 、 正己烷 、 乙腈 、 xylene 为溶剂， 反应 7.5h， 生成 2-methyl-2-propenyl (E)-2-butenoate
  参考文献：
  名称：

  过渡金属卡宾的跨环插入与分子内插入反应：环过环合成环辛烷环方法的评估

  摘要：

  探索了通过在11元大环内酯环内进行跨环金属稳定的卡宾插入反应来闭合环辛烷环的功效。通过对紧密相似的分子内（但非环形）过程的比较研究，评估了以环形方式进行这些反应的影响。在Cu（acac）2催化下，通过分子内环丙烷化在中等缺电子的烯烃上封闭γ-内酯环的收率很高，而类似的环戊环丙烷化则受到竞争性β-氢化物迁移的阻碍。相反，使用更富电子的甲氧基取代的烯烃导致成功的环过环丙烷化，以提供所需的含环辛烷环的产物。

  DOI：

  10.1016/s0040-4020(00)00893-0
• 作为产物：
  描述：

  丁酸酐 、 2-甲基-2-丙烯-1-醇 生成 2-甲基烯丙基丁酸酯
  参考文献：
  名称：

  Polymerization of Beta-Methallyl Alcohol and its Lower Aliphatic Esters

  摘要：

  DOI：

  10.1021/ja01869a050

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。
• TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS
  申请人：Goossens Thomas Peter Anne

  公开号：US20130090492A1

  公开（公告）日：2013-04-11

  This invention is directed to a general catalyst of high activity and selectivity for the production of a variety of esters, particularly acrylate and methacrylate-based esters, by a transesterification reaction. This objective is achieved by reaction of an ester of a carboxylic or a carbonic acid, in particular of a saturated or unsaturated, typically, a 3 to 4 carbon atom carboxylic acid; with an alcohol in the presence of a catalyst comprising the combination of a metal 1,3-dicarbonyl complex (pref. Zn or Fe acetylacetonate) and a salt, in particular an inorganic salt, pref. ZnCl2, LiCI, NaCI, NH4CI or Lil. These catalysts are prepared from readily available starting materials within the reaction medium without the need for isolation (in-situ preparation).

  这项发明针对一种高活性和选择性的通用催化剂，用于通过酯交换反应生产各种酯类，特别是丙烯酸酯和甲基丙烯酸酯。该目标通过在存在催化剂的情况下，将羧酸酯或碳酸酯的酯，特别是饱和或不饱和的、通常为3到4个碳原子的羧酸酯；与醇反应来实现。催化剂包括金属1,3-二羰基配合物（首选Zn或Fe乙酰丙酮酸盐）和盐的组合，特别是无机盐，首选ZnCl2，LiCl，NaCl，NH4Cl或I2。这些催化剂是在反应介质中从易得的起始物质制备而成，无需分离（原位制备）。
• 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。
• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。
• Anti-fouling Paints and Coatings
  申请人：Reactive Surfaces LTD

  公开号：US20150191607A1

  公开（公告）日：2015-07-09

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peptide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文披露了聚合材料，例如涂层、塑料、层压材料、复合材料、弹性体、粘合剂或密封剂；表面处理，例如纺织品整理或蜡；填充剂，用于这种聚合材料或表面处理，包括酯酶（例如脂肪水解酶、硫酸酯水解酶、有机磷化合物降解酶）的酶，降解细胞壁和/或细胞膜成分的酶（例如溶菌酶、裂解转葡糖苷酶），生物杀菌或生物稳定肽，和/或肽酶。本文还披露了通过将酶并入能够通过脂肪水解酶、水解酶和/或脲酶的活性进行化学交联的材料中，改变材料性能（例如使用寿命、柔韧性或刚度）的方法。