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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2174895Generated: October 25, 2026

Sodium Acetate → Methyl 3-(methylthio)-5-oxo-5,6-dihydropyrimido[4,5-c]quinoline-8-carboxylate

https://huagongshe.com/reaction/2174895

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium AcetateHCID 517045—
ReactantMethyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylateHCID 2794729—
Reactant[2-Amino-4-(methoxycarbonyl)phenyl]boronic acid--hydrogen chloride (1/1)HCID 16427083—
SolventDimethylformamideHCID 6228—
ProductMethyl 3-(methylthio)-5-oxo-5,6-dihydropyrimido[4,5-c]quinoline-8-carboxylateHCID 5750064479.6%

Reaction Conditions

Temperature120 °C

Reaction Steps

In a microwave vessel, methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate (1.0 eq, 274 mg, 1.18 mmol), 2-amino-4-(methoxycarbonyl)phenylboronic acid hydrochloride (1.2 eq, 329 mg, 1.42 mmol), and sodium acetate (3.0 eq, 291 mg, 3.55 mmol) were mixed in anhydrous DMF (2 ml). The mixture was degassed by bubbling nitrogen gas in the solution for 10 min and the reaction heated under microwaves at 120° C. for 30 min. After cooling down the expected material crashed out of NMP. The solid was filtered, suspended in water filtered and dried. The material was triturated in AcOEt and filtered give a yellow solid. The same procedure was repeated 9 times using the same amounts of materials to provide methyl 3-(methylthio)-5-oxo-5,6-dihydropyrimido[4,5-c]quinoline-8-carboxylate (283 mg, 10% yield). LCMS (ES): >95% pure, m/z 302 [M+1]+, 1H NMR (DMSO-d6, 400 MHz) δ 2.71 (s, 3H), 3.89 (s, 3H), 7.80 (dd, J=1.6, J=8.4, 1H), 7.97 (d, J=1.6, 1H), 8.59 (d, J=8.8, 1H), 9.98 (s, 1H), 12.34 (s, 1H) ppm.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09062043B2
Source datasetuspto-grants-2015_06
ORD IDord-55a136e2f63847e08ac3e2fd6f56bcd9
Source noteuspto-grants-2015_06