1,2-吡咯烷二羧酸,4-(2-丙烯-1-基)-,1-(1,1-二甲基乙基)酯,(2S,4R)- | 236391-76-7

• 物质功能分类: 有机原料 - 螺环化合物
• 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
• 中文名称: 1,2-吡咯烷二羧酸,4-(2-丙烯-1-基)-,1-(1,1-二甲基乙基)酯,(2S,4R)-
• 中文别名: 罗曼麝香；2-[1-(3,3-二甲基环己基)乙氧基]-2-氧代乙基丙酸酯
• 英文名称: romandolide
• 英文别名: Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester；[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] propanoate
• CAS: 236391-76-7
• 化学式: C₁₅H₂₆O₄
• 分子量: 270.369
• InChiKey: PDUFSBFWOJELLV-UHFFFAOYSA-N

物化性质

• 沸点：
  334.9±15.0 °C(Predicted)
• 密度：
  1.001±0.06 g/cm3(Predicted)
• LogP：
  4.560

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  alpha,3,3-三甲基环己烷甲醇 在 四丁基硫酸氢铵 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 生成 1,2-吡咯烷二羧酸,4-(2-丙烯-1-基)-,1-(1,1-二甲基乙基)酯,(2S,4R)-
  参考文献：
  名称：

  CN116589354

  摘要：

  公开号：

文献信息

• PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE
  申请人：Moretti Robert

  公开号：US20110200546A1

  公开（公告）日：2011-08-18

  The present invention concerns a compound of formula wherein R represents a hydrogen atom or a C 1-2 alkyl or alkoxyl group; each R 1 , R 2 or R 3 represents a hydrogen atom or a methyl or ethyl group; and X represents a CHO, COOR 4 or CN group, R 4 being a methyl or ethyl group; and at least one of said R, R 1 or R 2 represents a group containing at least one carbon atom; and it use as perfuming ingredient, for instance to impart odor notes of the floral and/or anis type.

  本发明涉及一种化合物，其化学式中R代表氢原子或C1-2烷基或烷氧基基团；每个R1、R2或R3代表氢原子或甲基或乙基基团；X代表CHO、COOR4或CN基团，其中R4为甲基或乙基基团；所述的R、R1或R2中至少有一个代表含有至少一个碳原子的基团；以及其用作香料成分，例如用于赋予花香和/或茴香类气味音符。
• [EN] BI-CYCLO ALDEHYDE AS PERFUMING INGREDIENT<br/>[FR] ALDÉHYDE BICYCLIQUE EN TANT QU'INGRÉDIENT PARFUMANT
  申请人：FIRMENICH & CIE

  公开号：WO2015000821A1

  公开（公告）日：2015-01-08

  The present invention relates to the field of perfumery and concerns some bi-cyclo derivative of formula (I), wherein R1 represents a hydrogen atom or a C1-2 alkyl group; R2 represents a hydrogen atom or a methyl group; and A represents a group of formula C3-5 alkanediyl group; at least one of said R1 or R2 represents a group containing at least one carbon atom; and said compound being in the form of a E or Z isomer or of a mixture thereof. Said compounds are valuable perfuming ingredients capable of imparting lily of the valley and citrus notes.

  本发明涉及香水领域，涉及一种具有式(I)的双环衍生物，其中R1表示氢原子或C1-2烷基；R2表示氢原子或甲基；A表示C3-5链烷二基团；至少R1或R2之一表示至少含有一个碳原子的基团；该化合物以E或Z异构体或其混合物的形式存在。这些化合物是有价值的香料成分，能够赋予铃兰和柑橘调。
• [EN] ENOL ETHER PROPERFUME<br/>[FR] PRO-PARFUM D'ÉTHER ÉNOLIQUE
  申请人：FIRMENICH & CIE

  公开号：WO2021250164A1

  公开（公告）日：2021-12-16

  The present invention relates to compounds of formula (I) as properfume compounds. In particular, the present invention relates to a method to release a compound being a carbonyl of formula (II), a formate ester of formula (III) and/or an alcohol of formula (IV), by exposing the compound of formula (I) to an environment wherein it is oxidized. Moreover, the present invention relates to a perfuming composition and a perfumed consumer product comprising at least one compound of formula (I).

  本发明涉及作为合适香精化合物的公式(I)的化合物。具体而言，本发明涉及一种释放公式(I)化合物的方法，该方法是通过将公式(I)化合物暴露在氧化环境中，释放出公式(II)的醛基、公式(III)的甲酸酯基和/或公式(IV)的醇基。此外，本发明涉及一种香精组合物和一种含有至少一种公式(I)化合物的香精消费产品。
• [EN] COMPOUNDS FOR PROVIDING A LONG-LASTING FLORAL AND FRUITY ODOR<br/>[FR] COMPOSÉS DESTINÉS À FOURNIR UNE ODEUR FLORALE ET FRUITÉE DE LONGUE DURÉE
  申请人：FIRMENICH & CIE

  公开号：WO2021122997A1

  公开（公告）日：2021-06-24

  The present invention relates to the field of perfumery. The present invention relates to compounds of formula (I) that are able to provide a long-lasting or substantive odor, in particular floral and/or fruity odor, to the environment. Moreover, the present invention relates to a method of imparting a long-lasting odor, in particular a fresh green, floral and/or fruity odor, to surfaces, such as hard surfaces, fabric, skin or hair. Furthermore, the present invention relates to the use of said compounds in perfumery, as well as the perfuming compositions or perfumed articles comprising the invention's compounds.

  本发明涉及香精领域。本发明涉及具有式(I)的化合物，能够赋予环境持久或实质性的气味，特别是花香和/或果香气味。此外，本发明涉及一种方法，能够赋予表面持久的气味，特别是清新的绿色、花香和/或果香气味，例如硬表面、织物、皮肤或头发。此外，本发明涉及在香精中使用所述化合物，以及包含本发明化合物的香水配方或香气产品。
• [EN] CYCLAMEN ODORANT<br/>[FR] SUBSTANCE ODORANTE DE TYPE CYCLAMEN
  申请人：FIRMENICH & CIE

  公开号：WO2019015974A1

  公开（公告）日：2019-01-24

  The present invention concerns compounds of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein each R1, independently from each other, represents a hydrogen atom or a methyl group; R2 and R3 represent, independently from each other, a C1-2 linear alkyl group or a C3-5 linear or branched alkyl group; R2 and R3, when taken together, represent a C2-5 linear, branched alkanediyl and one dotted line represents a carbon-carbon single bond and the second one a carbon-carbon double bond. The use of compound of formula (I) as perfuming ingredient of the floral type and the invention's compound as part of a perfuming composition or of a perfumed consumer product are also part of the present invention.

  本发明涉及式(I)的化合物，其形式可以是其立体异构体之一或其混合物，其中每个R1，彼此独立地代表氢原子或甲基基团；R2和R3彼此独立地代表C1-2直链烷基基团或C3-5直链或支链烷基基团；当R2和R3一起取时，它们代表C2-5直链、支链烷二基，并且一个点线代表碳-碳单键，第二个点线代表碳-碳双键。将式(I)的化合物用作花香型香料成分以及发明的化合物作为香料组合物或香水消费产品的一部分也属于本发明。