Heterocyclic Compounds for Arthropod Control via Structural Optimization

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Solution Overview

Problem

Current compounds for controlling harmful arthropods have limitations in efficacy and specificity, necessitating the development of more effective agents.

Innovation Solution

A compound represented by formula (I) with specific structural features, including various substituents and functional groups, is introduced, which can be used alone or in combination with inert carriers or other ingredients to control harmful arthropods.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If existing compounds are used for controlling harmful arthropods, then basic pest control function is provided, but efficacy is insufficient

Engineering Contradiction:
ImproveefficacyVSAvoidharmful arthropod infestation
Core Design Contradiction:
ReliabilityVSObject-generated harmful factors

Solution Approach 1:

The patent applies parameter changes by modifying the chemical structure of existing heterocyclic compounds through specific substitutions at defined positions (R1-R6, X1-X6, Y1-Y6) to optimize biological activity. This involves changing molecular parameters such as substituent types, positions, and configurations to enhance efficacy against harmful arthropods while maintaining the core heterocyclic framework

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent employs composite materials by combining heterocyclic core structures with various functional substituents and side chains to create compound series with enhanced properties. The composite molecular structures integrate different functional groups (e.g., cyano, carbonyl, amino groups) with the heterocyclic backbone to achieve synergistic effects that improve arthropod control efficacy

Inventive Principle:
Principle #40Composite materials

2Ease of manufacture

If compound structure is simplified for easier manufacture, then manufacturing precision may be compromised

Engineering Contradiction:
Improvesynthesis accessibilityVSAvoidstructural accuracy
Core Design Contradiction:
Ease of manufactureVSManufacturing precision

Solution Approach 1:

The patent applies segmentation by dividing the complex heterocyclic compound synthesis into modular stages, where core heterocyclic structures are first prepared and then systematically substituted with various functional groups. This modular approach allows for standardized intermediate production followed by targeted functionalization, balancing manufacturing ease with structural precision

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent employs universality by developing a platform approach where a common heterocyclic core structure serves as a universal scaffold for multiple compound variants. This allows the same core synthesis pathway to be used across different compound series, with only the substituent installation steps varying, thereby maintaining both ease of manufacture and structural accuracy

Inventive Principle:
Principle #6Universality (Multi-functionality)

Data Source

PatentEP3733667B1Heterocyclic compounds and noxious arthropod control agent containing same
Publication Date: 2024.06.12 SUMITOMO CHEM CO LTD
  • EP3733667B1 patent drawing
  • EP3733667B1 patent drawing
  • EP3733667B1 patent drawing

AI summary

The present invention provides a compound that have excellent harmful arthropod controlling effects, the compounds being represented by formula (I) [wherein Q represents a group represented by formula Q1 or the like, Z represents an oxygen atom or a sulfur atom, A1 represents a nitrogen atom or CR6a, A2 represents a nitrogen atom or CR6b, A3 represents a nitrogen atom or CR6c, A4 represents CR1a or the like, A5 represents a nitrogen atom or CR6e or the like, A6 represents a nitrogen atom or CR6f, R6a represents a hydrogen atom or the like, R6b represents a C1-C6 chain hydrocarbon group or the like, R6c, R6e, R6f are identical to or different from each other, and each represents a C1-C6 chain hydrocarbon group or the like, R1a represents a C1-C6 chain hydrocarbon group or the like, R2 represents a C1-C6 chain hydrocarbon group or the like, R3 represents a C1-C6 chain hydrocarbon group or the like, and n is 0, 1 or 2] or its N oxide compound.