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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1506000Generated: October 29, 2026

Sulfuric Acid → 3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid

https://huagongshe.com/reaction/1506000

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSulfuric AcidHCID 1118—
Reactant(4-(4-Methylpiperazin-1-yl)phenyl)boronic acidHCID 53316427—
Reactant3-bromo-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxylic acidHCID 67027538—
CatalystHCID 178418476HCID 178418476—
SolventAcetonitrileHCID 6342—
SolventSodium CarbonateHCID 10340—
Product3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic AcidHCID 58266559—

Reaction Conditions

Temperature140 °C

Reaction Steps

A degassed mixture of 3-bromo-9H-dipyrido[2,3-b;4′,3′-d]pyrrole-6-carboxylic acid (37.7 mg, 0.13 mmol), 4-(4-methylpiperazin-1-yl)phenylboronic acid, pinacol ester (58.5 mg, 0.194 mmol) and bis(triphenylphosphine)palladium(II) dichloride (4.5 mg, 6.4 μmol) in acetonitrile (2 mL) and aqueous sodium carbonate solution (2 mL) was heated under microwave irradiation at 140° C. for 10 minutes. The cooled reaction mixture was acidified with 10% aqueous sulfuric acid, filtered, and the crude solution was purified by preparative HPLC (0-30% MeCN over 30 min, 35 mL/min) to afford the title compound. 1H NMR (DMSO-D6, 400 MHz): 12.62 (s, 1H), 9.66 (s, 1H), 9.14-8.95 (m, 4H), 7.77 (d, J=8.7 Hz, 2H), 7.18 (d, J=8.9 Hz, 2H), 3.97 (d, J=13.4 Hz, 2H), 3.55 (d, J=11.6 Hz, 2H), 3.20 (q, J=11.1 Hz, 2H), 3.04 (t, J=11.9 Hz, 2H), 2.89 (s, 3H). LCMS (Method D): RT=5.09 min, M+H+=388.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09216980B2
Source datasetuspto-grants-2015_12
ORD IDord-eab726a907814887acb3825ddc24361c
Source noteuspto-grants-2015_12