HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 508989Generated: October 28, 2026
Trifluoroacetic acid → HCID 136246000, compound
https://huagongshe.com/reaction/508989
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | 6-Chloro-2-fluoro-3-(pivalamidomethyl)benzoyl isocyanate | HCID 90019745 | — |
| Reactant | HCID 90065722 | HCID 90065722 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 136246000 | HCID 136246000 | 7.1% |
Reaction Steps
To a solution of tert-butyl 2-(3,4-dichlorophenyl)hydrazinecarboxylate (Intermediate-52, 0.060 g, 0.21 mmol) in DCM (10 mL) was added solution of 6-chloro-2-fluoro-3-(pivalamidomethyl)benzoyl isocyanate (Intermediate-51, 0.101 g, 0.32 mmol) in DCM and the reaction mixture was stirred for 20 h at room temperature, followed by addition of TFA (3 mL) and further stirred for 20 h at room temperature. The reaction mass was quenched in water, extracted with DCM and concentrated to afford crude product which was purified by column chromatography eluting with MeOH:DCM to afford 0.007 g of pure product. 1H NMR (300 MHz, CDCl3): δ 1.20 (s, 9H), 4.44 (d, J=5.4 Hz, 2H), 6.20 (m, 1H), 7.29 (m, 1H), 7.41-7.49 (m, 2H), 7.91 (d, J=8.1 Hz, 1H), 8.15 (s, 1H); MS (m/z): 471.26 (M+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09096545B2 |
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| Source dataset | uspto-grants-2015_08 |
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| ORD ID | ord-7e07b868fa1e47d8a358d1f5cd3820f0 |
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| Source note | uspto-grants-2015_08 |
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