2,2,4,4-Tetramethylcyclobutane-1,3-diol Esters and Ethers for Aroma Chemicals
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Solution Overview
Problem
There is a need for new aroma chemicals that exhibit pleasant organoleptic properties, are combinable with other fragrances to create novel sensory profiles, and can be produced efficiently from readily available starting materials, while also being free of toxicological concerns.
Innovation Solution
The use of esters and ethers of 2,2,4,4-tetramethylcyclobutane-1,3-diol as aroma chemicals, which can be incorporated into ready-to-use compositions to provide pleasant odors and enhance sensory profiles.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If natural fragrances are used, then pleasant organoleptic properties are achieved, but high cost and limited availability occur
Solution Approach 1:
The patent creates synthetic aroma chemicals that copy the desirable organoleptic properties of natural fragrances. Specifically, esters and ethers of 2,2,4,4-tetramethylcyclobutane-1,3-diol are synthesized to provide pleasant odors and sensory profiles similar to or exceeding natural alternatives, thereby achieving reliable sensory performance without the availability constraints of natural sources
Solution Approach 2:
The patent modifies chemical structures by varying substituents R1 and R2 in the general formula (I) to optimize organoleptic properties. By systematically changing parameters such as alkyl group types (methyl, ethyl, propyl, butyl) and their positions, the invention achieves diverse aromatic profiles while maintaining pleasant sensory characteristics, thus reliably reproducing natural fragrance qualities through controlled structural parameter changes
2Quantity of substance
If synthetic aroma chemicals are used, then availability and cost are improved, but difficulty in finding substances with desired sensory properties occurs
Solution Approach 1:
The patent segments the complex task of fragrance discovery into systematic molecular modifications. By focusing on a specific core structure (2,2,4,4-tetramethylcyclobutane-1,3-diol) and systematically varying substituents R1 and R2, the invention breaks down the search for desirable sensory properties into manageable structural variations, making it easier to identify and develop compounds with target aromatic characteristics
Solution Approach 2:
The patent employs systematic parameter changes by exploring different alkyl substituents (methyl, ethyl, propyl, butyl in various isomeric forms) at positions R1 and R2. This structured approach to modifying molecular parameters enables efficient identification of compounds with desired sensory properties, transforming the difficult search process into a systematic exploration of structure-odor relationships
3Adaptability or versatility
If chemical structure is changed, then novel sensory profiles are achieved, but massive changes in odor and taste occur
Solution Approach 1:
The patent applies local quality by making targeted modifications at specific positions (R1 and R2) of the molecular structure while keeping the core 2,2,4,4-tetramethylcyclobutane-1,3-diol framework intact. This localized approach allows for controlled exploration of sensory profile diversity without causing massive unpredictable changes, as the modifications are confined to specific substituent positions rather than the entire molecular structure
Solution Approach 2:
The patent achieves controlled sensory property changes through systematic parameter modifications of substituents R1 and R2. By changing parameters such as alkyl chain length, branching patterns, and positional isomerism in a controlled manner, the invention generates novel sensory profiles while maintaining predictability and manufacturability, thus balancing versatility with manufacturing precision
Data Source
AI summary
The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=0)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=0)-R4, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready- to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.