Pyrimidine Derivatives for Fragrance Innovation
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Solution Overview
Problem
The fragrance industry faces a continuous need for new chemical entities to create innovative perfumes and personal care products, as variations in chemical structure significantly impact odor and characteristics, necessitating the discovery of new compounds to enhance or modify fragrances.
Innovation Solution
The development and use of novel pyrimidine derivatives, represented by specific formulas, which can be incorporated into perfumes, colognes, and personal care products to enhance, improve, or modify fragrances, offering musky, ambery, floral, and woody notes.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If new chemical entities are continuously discovered to create innovative fragrances, then the variety and quality of perfume compositions is improved, but the complexity of chemical research and development increases
Solution Approach 1:
The patent applies parameter changes by systematically modifying chemical structures of pyrimidine derivatives through variation of substituents (R1-R10), ring sizes (m, n), and molecular configurations. This allows generation of diverse fragrance compounds from a core structural scaffold, improving fragrance variety without proportionally increasing development complexity.
Solution Approach 2:
The invention segments the fragrance development process by categorizing pyrimidine derivatives into multiple formula types (Formulas I-VIII with different m, n values and substituent patterns). This segmentation enables systematic exploration of chemical space while maintaining organizational structure in the development process.
2Reliability
If chemical structure variations are explored to enhance odor characteristics, then the fragrance quality is improved, but the time required for discovery and development increases
Solution Approach 1:
The patent performs preliminary action by pre-establishing the core pyrimidine derivative structure and identifying key structural parameters (m, n, substituent types) before actual fragrance development. This preliminary structural framework allows rapid generation and evaluation of candidate compounds, reducing the time required to discover new fragrance entities.
Solution Approach 2:
By using parameter changes through systematic variation of molecular parameters (ring sizes, substituent types, positions), the patent enables efficient exploration of fragrance quality possibilities without time-consuming de novo synthesis of entirely new molecular classes.
3Adaptability or versatility
If novel pyrimidine derivatives are synthesized to provide unique fragrance profiles, then the fragrance innovation is improved, but the manufacturing complexity increases
Solution Approach 1:
The patent applies universality by designing pyrimidine derivatives with multi-functional characteristics - the core structure provides both the fragrance function and serves as a platform for various substituent modifications. This universal scaffold approach enables manufacture of multiple fragrance variants from a common synthetic pathway, improving innovation while controlling manufacturing complexity.
Solution Approach 2:
The invention uses parameter changes to modify existing pyrimidine derivative structures rather than creating entirely new molecular classes. By varying substituents and molecular parameters within a known chemical framework, the patent achieves fragrance innovation while maintaining relatively straightforward synthetic routes.
Data Source
AI summary
The present invention relates to novel pyrimidine derivatives and their use in perfume compositions. The novel pyrimidine derivatives of the present invention are represented by the following formula:wherein m and n are integers that when m is 0, n is 1; when m is 1, n is 0 or 1; or when m is 2, n is 0;wherein (CH)m and (CH)n are each independently optionally substituted with a substituent selected from the group consisting of methyl and ethyl;wherein X is selected from the group consisting of N, O, and S; andwherein R1 and R2 each independently represent H or a hydrocarbon group, or R1 and R2 together represent a fused ring or a ring system,with the proviso that when R1 is H, R2 is not H.