HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1469796Generated: October 31, 2026
Isobutyryl chloride → Ethyl 2-(difluoromethyl)-5-(isobutyramidomethyl)nicotinate
https://huagongshe.com/reaction/1469796
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isobutyryl chloride | HCID 62325 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Ethyl 5-(((tert-butoxycarbonyl)amino)methyl)-2-(difluoromethyl)nicotinate | HCID 71059899 | — |
| Solvent | Hydrochloric Acid | HCID 313 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | Ethyl 2-(difluoromethyl)-5-(isobutyramidomethyl)nicotinate | HCID 71059744 | 44.1% |
Reaction Steps
A solution of ethyl 5-(((tert-butoxycarbonyl)amino)methyl)-2-(difluoromethyl)nicotinate (500 mg, 1.51 mmol) in HCl in EtOH (2 mL) was stirred at rt for 2 h. The reaction mixture was concentrated and the concentrate was dissolved in DMF (2 mL). The solution was treated with DIPEA (464 mg, 3.60 mmol) and isobutyryl chloride (115 mg, 1.08 mmol) at rt. The reaction mixture was stirred for 2 h before it was diluted with EtOAc and was washed with H2O and brine. The organic layer was separated, dried, filtered and concentrated. The residue was purified by column chromatography to afford 200 mg of the title product. 1H NMR (300 MHz, DMSO d6): δ 8.75 (s, 1H), 8.48 (t, 1H), 8.14 (s, 1H), 7.59-7.24 (t, J=54 Hz, 1H), 4.39-4.32 (m, 4H), 2.44 (m, 1H), 1.35-1.29 (t, J=6.9 Hz, 3H), 1.04-1.02 (d, J=6.9 Hz, 6H); MS [M+H]+: 301.36.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09006257B2 |
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| Source dataset | uspto-grants-2015_04 |
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| ORD ID | ord-0db722cccb0445588862f4315928c95e |
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| Source note | uspto-grants-2015_04 |
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