5-(2-hydroxy-2-methylpropyl)-3,4,4-trimethylcyclopent-2-en-1-one | 852659-07-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-(2-hydroxy-2-methylpropyl)-3,4,4-trimethylcyclopent-2-en-1-one
• CAS: 852659-07-5
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: NOMITXLGZMITNL-UHFFFAOYSA-N

物化性质

• 沸点：
  289.3±19.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2-hydroxy-2-methylpropyl)-3,4,4-trimethylcyclopent-2-en-1-one 在 对甲苯磺酸 原甲酸三甲酯 作用下， 反应 0.5h， 生成 3,4,4-Trimethyl-5-(2-methylprop-1-enyl)cyclopent-2-en-1-one
  参考文献：
  名称：

  [EN] NOVEL CYCLIC OXYGENATED COMPOUNDS HAVING COOLING, FRAGRANCE, AND FLAVOR PROPERTIES, AND USES THEREOF
  [FR] NOUVEAUX COMPOSES CYCLIQUES OXYGENES POSSEDANT DES PROPRIETES DE RAFRAICHISSEMENT, DE FRAGRANCE ET DE SAVEUR, ET UTILISATIONS DESDITS COMPOSES

  摘要：

  公开号：

  WO2005049562A3
• 作为产物：
  描述：

  1-Morpholin-4-yl-2-(4,5,5-trimethyl-2-morpholin-4-ylcyclopenta-1,3-dien-1-yl)ethanone 生成 5-(2-hydroxy-2-methylpropyl)-3,4,4-trimethylcyclopent-2-en-1-one
  参考文献：
  名称：

  [EN] NOVEL CYCLIC OXYGENATED COMPOUNDS HAVING COOLING, FRAGRANCE, AND FLAVOR PROPERTIES, AND USES THEREOF
  [FR] NOUVEAUX COMPOSES CYCLIQUES OXYGENES POSSEDANT DES PROPRIETES DE RAFRAICHISSEMENT, DE FRAGRANCE ET DE SAVEUR, ET UTILISATIONS DESDITS COMPOSES

  摘要：

  公开号：

  WO2005049562A3

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。
• [EN] COOLING COMPOSITION<br/>[FR] COMPOSITION DE REFROIDISSEMENT
  申请人：FIRMENICH & CIE

  公开号：WO2019012071A1

  公开（公告）日：2019-01-17

  The present invention relates to the field of flavor or perfumery. More particularly, it concerns a composition of matter comprising : i) at least one compound of formula (I) in the form of any of its stereoisomers; and wherein R1 represents a phenyl group optionally substituted by one or two C1-3 alkyl or alkoxy groups or by one or two halides group; R2 and R3 represent, independently from each other, a heterocyclic group comprising from 1 to 3 heteroatoms selected from nitrogen, oxygen and sulfur, optionally substituted by one or two C1-3 alkyl groups; and ii) at least a C1-6 linear or branched alkyl lactate. The use of said composition of matter in a flavor or perfumery composition is also part of the invention. Therefore, following what is mentioned herein, the present invention comprises the invention's composition of matter as part of a flavoring or perfuming composition or of a flavoring or perfuming consumer product. The process to prepare the invention's composition of matter and the polymorph of compound of formula (I), in particular of N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)-2-(ptolyloxy)acetamide, are also an object of the invention.

  本发明涉及香料或香水领域。更具体地说，涉及一种物质组成，包括：i）至少一种式（I）的化合物，以其任意立体异构体的形式存在；其中R1代表苯基，可选地被一个或两个C1-3烷基或烷氧基或一个或两个卤素基取代；R2和R3分别独立地表示含有1至3个氮、氧和硫杂原子的杂环基，可选地被一个或两个C1-3烷基取代；以及ii）至少一种C1-6线性或支链酸乳酸酯。该物质组成在香料或香水组成中的使用也属于本发明的一部分。因此，根据本文所述，本发明包括作为调味或香料消费产品组成的发明物质组成。本发明还涉及制备发明物质组成和式（I）化合物的多晶形式的方法，特别是N-(1H-吡唑-3-基)-N-(噻吩-2-基甲基)-2-(p-甲氧基)乙酰胺的多晶形式。
• Novel Cyclic Oxygenated Compounds Having Cooling, Fragrance, and Flavor Properties, and Uses Thereof
  申请人：Selifonov Sergey

  公开号：US20070274928A1

  公开（公告）日：2007-11-29

  Compositions that include compounds capable of producing a cooling sensory effect such as certain hydroxy-ketones and hydroxy-aldehyde compounds, their cyclic semi-ketals and semiacetals, and other derivatives thereof. The compounds impart a refreshing and cooling sensation of long duration and high potency, and thus are useful in a variety of formulations, including consumer products such as mouth formulations, food and beverage products, tobacco and smoking articles, fragrances, toiletries, ointments, and the like.

  这段话的意思是：包括某些羟基酮和羟基醛化合物、它们的环状半酮和半缩醛以及其他衍生物在内的化合物，可以产生冷却感官效应的组合物。这些化合物具有长时间和高效的清爽和冷却感觉，因此在各种配方中非常有用，包括消费品如口腔制剂、食品和饮料制品、烟草和吸烟用品、香水、化妆品、药膏等。
• 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。