HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 59515Generated: October 27, 2026
Pivaloyl chloride → N-(3-(1-(4-(Trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)pivalamide
https://huagongshe.com/reaction/59515
Participants
| Role | Name | HCID | Charge |
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| Reactant | Pivaloyl chloride | HCID 62493 | — |
| Reactant | 5-(3-(Aminomethyl)-2,6-dimethylphenyl)-2-(4-(trifluoromethyl)phenyl)-2H-1,2,4-triazol-3(4H)-one | HCID 136492429 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | N-(3-(1-(4-(Trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)pivalamide | HCID 136246059 | 19.5% |
Reaction Steps
To a solution of 5-(3-(aminomethyl)-2,6-dimethylphenyl)-2-(4-(trifluoromethyl)phenyl)-2H-1,2,4-triazol-3(4H)-one (Intermediate-66, 0.050 g) in dry THF (5 mL), TEA (3 mL) was added and stirred the reaction mixture for 20 minutes. The reaction mixture was cooled to 0° C. and pivaloyl chloride (0.05 g, 0.563 mmol) was added and stirred for 3 h at RT. After completion of the reaction, the reaction mass was quenched with water, extracted with DCM:MeOH. The organic layer was separated, concentrated, and purified by column chromatography to afford 0.012 g of the desired title product. 1H NMR (400 MHz, DMSO d6): δ 1.15 (s, 9H), 2.18 (s, 3H), 2.22 (s, 3H), 4.24 (d, J=12.6 Hz, 2H), 7.19 (d, 1H), 7.25 (d, 1H), 7.84 (d, J=5.7 Hz, 2H), 8.0 (t, 1H), 8.20 (d, J=6.4 Hz, 2H), 12.30 (br s, 1H); MS (m/z): 447.20 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09439890B2 |
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| Source dataset | uspto-grants-2016_09 |
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| ORD ID | ord-7dbac8e56cf64536ae4db07b1250ce6a |
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| Source note | uspto-grants-2016_09 |
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