异戊基4-(2-呋喃)丁酸酯 | 7779-66-0

• 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: 异戊基4-(2-呋喃)丁酸酯
• 英文名称: Isoamyl 4-(2-furan)butyrate
• 英文别名: 3-methylbutyl 4-(furan-2-yl)butanoate
• CAS: 7779-66-0
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: RDRMEIURGDBOHW-UHFFFAOYSA-N

物化性质

• 沸点：
  295.5±23.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Predicted)
• 物理描述：
  Pale yellowish liquid; Sweet-buttery, fruity and caramel-like aroma
• 溶解度：
  Insoluble in water
• 折光率：
  1.551-1.555

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

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。
• 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。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。
• Pro-fragrance composition
  申请人：AQDOT LIMITED

  公开号：US10695277B2

  公开（公告）日：2020-06-30

  A pro-fragrance composition includes a cucurbituril in complex with a fragrance molecule and use of the compositions in counteracting malodour. The cucurbituril is present as a mixture, wherein the mixture includes at least two different cucurbiturils selected from CB[5], CB[6], CB[7] and CB[8]. The complexed fragrance molecule is released when the composition is exposed to a stimulus. Also provides methods for the preparation of pro-fragrance complexes of cucurbiturils and fragrance molecules.

  一种促香组合物包括葫芦素与香味分子的复合物，该组合物用于对抗恶臭。葫芦素以混合物的形式存在，其中混合物包括至少两种选自 CB[5]、CB[6]、CB[7] 和 CB[8] 的不同葫芦素。当组合物受到刺激时，络合的香味分子就会释放出来。还提供了葫芦素和香味分子的原香味复合物的制备方法。
• Method for the production of isoamyl alcohol
  申请人：Global Bioenergies

  公开号：US10941423B2

  公开（公告）日：2021-03-09

  Described is a method for the production isoamyl alcohol (3-methylbutan-1-ol) comprising the enzymatic conversion of 3-methylbutyryl-CoA (isovaleryl-CoA) into isoamyl alcohol comprising: (a) two enzymatic steps comprising (i) first the enzymatic conversion of 3-methylbutyryl-CoA into 3-methylbutyraldehyde (3-methylbutanal or isovaleraldehyde); and (ii) then enzymatically converting the thus obtained 3-methylbutyraldehyde into said isoamyl alcohol; or (b) a single enzymatic reaction in which 3-methylbutyryl-CoA is directly converted into isoamyl alcohol by making use of an alcohol-forming short chain acyl-CoA dehydrogenase/fatty acyl-CoA reductase or an alcohol-forming fatty acyl-CoA reductase (long-chain acyl-CoA:NADPH reductase) (EC 1.2.1.84). Further, described is the above method wherein the 3-methylbutyryl-CoA can be provided by the enzymatic conversion of 3-methylcrotonyl-CoA into said 3-methylbutyryl-CoA. It is also described that the thus obtained isoamyl alcohol can be further enzymatically converted into 3-methylbutyl acetate (isoamyl acetate) as described herein. Described are also recombinant organisms or microorganisms which are capable of performing the above enzymatic conversions. Furthermore, described are uses of enzymes and enzyme combinations which allow the above enzymatic conversions.

  所描述的是一种生产异戊醇（3-甲基丁-1-醇）的方法，包括将 3-甲基丁酰-CoA（异戊酰-CoA）酶法转化为异戊醇，该方法包括：(a) 两个酶解步骤，包括：(i) 首先将 3-甲基丁酰-CoA 酶解转化为 3-甲基丁醛（3-甲基丁醛或异戊醛）；(ii) 然后将由此获得的 3-甲基丁醛酶解转化为所述异戊醇；或 (b) 单个酶促反应，利用成醇短链酰基-CoA 脱氢酶/脂肪酰基-CoA 还原酶或成醇脂肪酰基-CoA 还原酶（长链酰基-CoA：NADPH 还原酶）（EC 1.2.1.84).此外，还描述了上述方法，其中 3-甲基丁酰基-CoA 可以通过酶法将 3-甲基巴豆酰基-CoA 转化为所述 3-甲基丁酰基-CoA。还描述了由此获得的异戊醇可进一步酶促转化为本文所述的 3-甲基丁基乙酸酯（乙酸异戊酯）。还描述了能够进行上述酶转化的重组生物或微生物。此外，还描述了可进行上述酶转化的酶和酶组合的用途。