HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 483115Generated: October 30, 2026
Water → 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone
https://huagongshe.com/reaction/483115
Participants
| Role | Name | HCID | Charge |
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| Reactant | Water | HCID 962 | — |
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | 1-(Bromomethyl)-4-chlorobenzene | HCID 69329 | — |
| Reactant | 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone | HCID 100877 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone | HCID 12925561 | 76.3% |
Reaction Steps
7.5 g (0.25 mol) of sodium hydride (80% strength suspension in oil) are slowly introduced, at 10° C., into a solution of 50.1 g (0.3 mol) of 2,2-dimethyl-4-(1,2,4-triazol-1-yl)-butan-3-one in 150 ml of absolute N,N-dimethylformamide, and the mixture is stirred at 20° C. until the evolution of gas has ended. A solution of 62 g (0.3 mol) of 4-chlorobenzyl bromide in 50 ml of N,N-dimethylformamide is then added dropwise, while stirring. After 5 hours, the reaction mixture is stirred into 900 ml of water, and the solid product which separates out is filtered off and recrystallized from 175 ml of ethanol. 55.6 g (76.3% of theory) of 5-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-pentan-3-one are obtained in the form of colorless crystals of melting point 124° C.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US04578396 |
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| Source dataset | uspto-grants-1986_03 |
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| ORD ID | ord-31dfd0039f9342e1a30785bd03b8b64c |
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| Source note | uspto-grants-1986_03 |
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