What question did this study set out to answer?

To experimentally validate a published predictive kinetic model of dialkylamine nitrosation and compare the reaction rates of dialkylamines versus trialkylamines.

February 8, 2023Organic Process Research & Development

Formation of Dialkyl-N-nitrosamines in Aqueous Solution: An Experimental Validation of a Conservative Predictive Model and a Comparison of the Rates of Dialkyl and Trialkylamine Nitrosation

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Authors

IAIan W. AshworthAstraZeneca (United Kingdom)DDDebasis DeyPfizer (India)ODOlivier DiratPfizer (United Kingdom)

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Implication

Experimental study demonstrates dialkylamine nitrosation models overpredict reaction rates in aqueous solution, highlighting conservative safety assessments for pharmaceutical manufacturing.

Key Points

To experimentally validate a published predictive kinetic model of dialkylamine nitrosation and compare the reaction rates of dialkylamines versus trialkylamines.
Generated experimental kinetic data measuring the formation of dialkyl-N-nitrosamines in aqueous solution to test against published predictive models.
Evaluated the rate of nitrosative dealkylation forming N-nitrosamines in simple trialkylamines compared to corresponding dialkylamines.
Experimental findings showed that the published kinetic model for dialkylamine nitrosation is conservative and overpredicts actual N-nitrosamine formation levels.
Trialkylamines underwent nitrosative dealkylation to yield N-nitrosamines at a rate at least 500 times lower than that observed for dialkylamines.

Cite This Study

Ashworth et al. (2023) studied this question.

synapsesocial.com/papers/6a70df94ce524a4339c48e93 https://doi.org/10.1021/acs.oprd.2c00366

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Implication

Experimental study demonstrates dialkylamine nitrosation models overpredict reaction rates in aqueous solution, highlighting conservative safety assessments for pharmaceutical manufacturing.

Formation of Dialkyl-N-nitrosamines in Aqueous Solution: An Experimental Validation of a Conservative Predictive Model and a Comparison of the Rates of Dialkyl and Trialkylamine Nitrosation

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Member takes

Implication

Key Points

Cite This Study

Formation of Dialkyl-N-nitrosamines in Aqueous Solution: An Experimental Validation of a Conservative Predictive Model and a Comparison of the Rates of Dialkyl and Trialkylamine Nitrosation

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Implication

Key Points

Cite This Study

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