N-Functionalized Alkoxy Pyrazole Nitrification Inhibitors

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Solution Overview

Problem

Current nitrification inhibitors are either ineffective or have high volatility, leading to significant nitrogen leakage and environmental pollution, necessitating the development of more efficient and stable compounds to manage nitrogen fertilizer use as global food production demands increase.

Innovation Solution

N-functionalized alkoxy pyrazole compounds are introduced as nitrification inhibitors, which reduce the conversion of ammonium to nitrate with low volatility and improved stability, allowing for effective use in agrochemical mixtures and treatments for plants and soil.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If conventional nitrification inhibitors are used, then nitrification is inhibited to some extent, but the compounds exhibit high volatility leading to nitrogen leakage and environmental pollution

Engineering Contradiction:
Improvenitrification inhibition effectivenessVSAvoidvolatility and nitrogen leakage
Core Design Contradiction:
ReliabilityVSObject-generated harmful factors

Solution Approach 1:

The patent modifies the chemical structure of pyrazole compounds by changing physical and chemical parameters - specifically introducing N-functionalization and alkoxy substitution at the 3-position. These structural parameter changes reduce volatility while maintaining nitrification inhibition effectiveness, thereby resolving the contradiction between inhibition reliability and harmful volatility

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention creates composite molecular structures by combining pyrazole core with N-functional groups and alkoxy substituents. This composite molecular design achieves both effective nitrification inhibition and reduced volatility, eliminating the harmful effects associated with conventional single-function inhibitors

Inventive Principle:
Principle #40Composite materials

2Productivity

If nitrogen fertilizer application is increased to meet global food production demands, then food production capacity is improved, but nitrogen leakage and environmental pollution increase

Engineering Contradiction:
Improvefood production capacityVSAvoidnitrogen leakage and environmental pollution
Core Design Contradiction:
ProductivityVSObject-generated harmful factors

Solution Approach 1:

The N-functionalized alkoxy pyrazole compounds act as intermediary substances between nitrogen fertilizer and plants. These inhibitors slow down the nitrification process, allowing nitrogen to remain available for plant uptake longer, thereby reducing nitrogen leakage while supporting increased fertilizer application for food production

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The patent enables continuous availability of nitrogen for plant growth by inhibiting the rapid conversion of ammonium to nitrate. This extends the useful action of nitrogen fertilizer throughout the growing season, allowing higher total nitrogen application without proportionally increasing losses to the environment

Inventive Principle:
Principle #20Continuity of useful action

3Reliability

If existing nitrification inhibitors are used, then some nitrification reduction is achieved, but the inhibitors are ineffective or require excessive application rates

Engineering Contradiction:
Improvenitrification inhibition effectivenessVSAvoidinhibitor application rate
Core Design Contradiction:
ReliabilityVSQuantity of substance

Solution Approach 1:

The patent optimizes the chemical parameters of the inhibitor molecules - specifically the N-functionalization and alkoxy substitution patterns - to enhance binding affinity with nitrifying bacteria and improve biochemical inhibition efficiency. This parameter optimization allows effective nitrification control at lower application rates, resolving the contradiction between inhibition reliability and quantity required

Inventive Principle:
Principle #35Parameter changes

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The N-functionalized alkoxy pyrazole compounds significantly reduce nitrification, minimizing nitrogen leakage and environmental pollution while maintaining cost-effectiveness and environmental safety, enhancing fertilizer efficiency and reducing the need for increased nitrogen fertilizer application.

Implementation Method 1

The enzyme, which is essentially responsible for nitrification is ammonia monooxygenase (AMO), which was also found in ammonia-oxidizing archaea. The nitrification is carried out primarily by two groups of chemolithotrophic bacteria, ammonia-oxidizing bacteria (AOB) of the genus Nitrosomonas and Nitrobacter

Methodology Applied
Scientific EffectEnzyme inhibition: Enzyme

Implementation Method 2

it has been found that this compound has a high volatility and is therefore disadvantageous for long-term applications

Methodology Applied
Scientific EffectVolatility reduction: Evaporation

Data Source

PatentUS20240270658A1Use of an N-Functionalized Alkoxy Pyrazole Compound as Nitrification Inhibitor
Publication Date: 2024.08.15 BASF SE
  • US20240270658A1 patent drawing
  • US20240270658A1 patent drawing
  • US20240270658A1 patent drawing

AI summary

The present invention relates to novel nitrification inhibitors of formula I, which are N-functionalized alkoxy pyrazole compounds. Moreover, the invention relates to the use of compounds of formula I as nitrification inhibitors, i.e. for reducing nitrification, as well as agrochemical mixtures and compositions comprising the nitrification inhibitors of formula I.