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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 423927Generated: October 29, 2026

N-methyl-2-pyrrolidone → N-(4-tert-Butyl-2-cyano-5-hydroxyphenyl)-1,4-dihydro-4-oxoquinoline-3-carboxamide

https://huagongshe.com/reaction/423927

Reaction equation

Participants

RoleNameHCIDCharge
ReactantN-methyl-2-pyrrolidoneHCID 13387—
ReactantHCID 57567323HCID 57567323—
CatalystZinc cyanide (Zn(CN)2)HCID 11186—
CatalystHCID 178418397HCID 178418397—
ProductN-(4-tert-Butyl-2-cyano-5-hydroxyphenyl)-1,4-dihydro-4-oxoquinoline-3-carboxamideHCID 86604206—

Reaction Conditions

Temperature200 °C

Reaction Steps

To a suspension of N-(4-tert-butyl-2-bromo-5-hydroxyphenyl)-1,4-dihydro-4-oxoquinoline-3-carboxamide (C-27-I) (84 mg, 0.2 mmol), Zn(CN)2 (14 mg, 0.12 mmol) in NMP (1 mL) was added Pd(PPh3)4 (16 mg, 0.014 mmol) under nitrogen. The mixture was heated in a microwave oven at 200° C. for 1 h, filtered and purified using preparative HPLC to give N-(4-tert-butyl-2-cyano-5-hydroxyphenyl)-1,4-dihydro-4-oxoquinoline-3-carboxamide (476). 1H NMR (400 MHz, DMSO-d6) δ 13.00 (d, J=6.4 Hz, 1H), 12.91 (s, 1H), 10.72 (s, 1H), 8.89 (d, J=6.8 Hz, 1H), 8.34 (d, J=8.2 Hz, 1H), 8.16 (s, 1H), 7.85-7.75 (m, 2H), 7.56-7.54 (m, 1H), 7.44 (s, 1H), 1.35 (s, 9H); HPLC ret. time 3.42 min, 10-100% CH3CN, 5 min gradient; ESI-MS 362.1 m/z (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08101767B2
Source datasetuspto-grants-2012_01
ORD IDord-bbe0c52c3b4146c6ad21ec43266cfbda
Source noteuspto-grants-2012_01