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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1014525Generated: October 31, 2026

Methylamine → HCID 178485519, compound

https://huagongshe.com/reaction/1014525

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethylamineHCID 6329—
ReactantSodium MethoxideHCID 10942334—
ReactantHCID 59441954HCID 59441954—
Reactant5-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one HCl saltHCID 67316253—
SolventWaterHCID 962—
Solvent2,2,2-TrifluoroethanolHCID 6409—
SolventSodium BicarbonateHCID 516892—
ProductHCID 178485519HCID 17848551941.3%

Reaction Conditions

Temperature90 °C

Reaction Steps

A mixture of 5-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2′,3′:4,5]pyrimido[6,1-b]quinazolin-7(3H)-one hydrogen chloride (0.27 g, 0.54 mmol) and 1-[(dimethylamino)acetyl]-4,4-dimethyl-6-(methyloxy)-1,2,3,4-tetrahydro-7-quinolinamine (0.18 g, 0.60 mmol) was taken in 2,2,2-trifluoroethanol (20 mL) and heated at 90° C. for 3 h. The reaction was cooled, diluted with saturated aqueous sodium bicarbonate and extracted with dichloromethane. The organic layer was separated, dried over magnesium sulfate, filtered, concentrated, diluted with tetrahydrofuran (10 mL) and treated with excess methyl amine (10 mL, 20 mmol, 2M in THF). The reaction was stirred for 16 h at 50° C. in a sealed vial. The reaction was cooled and partitioned between water and ethyl acetate. Brine was added to assist in the separation of layers. The organic layer was separated, dried over sodium sulfate, and concentrated. The crude material was dissolved in tetrahydrofuran (10 mL), diluted with methanol (10 mL) and treated with sodium methoxide (250 mg, 4.63 mmol) and stirred at 70° C. for 3 h. The reaction was cooled, diluted with water, and extracted with ethyl acetate. The organic layer was separated, dried over sodium sulfate, and purified by flash silica gel column chromatography (dichloromethane to 8:1:1 mixture of dichloromethane:methano1:2M ammonia in methanol) to provide 2-[(2-{[1-(N,N-dimethylglycyl)-4,4-dimethyl-6-(methyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide (0.128 g, 0.223 mmol, 36% over 3 steps). 1H NMR (400 MHz, DMSO-d6) δ ppm 1.27 (s, 6 H), 1.67-1.77 (m, 2 H), 2.11 (bs, 6 H), 2.78 (d, J=4.4 Hz, 3 H), 3.27 (s, 2 H), 3.75 (t, J=6.0 Hz, 2 H), 3.88 (s, 3 H), 6.29-6.34 (m, 1 H), 6.92-7.02 (s, 3 H), 7.37-7.45 (m, 1 H), 7.51 (s, 1 H), 8.18-8.27 (m, 1 H), 8.38 (s, 1 H), 8.52-8.58 (m, 1 H), 10.10 (s, 1 H), 11.39 (bs, 1 H); ESIMS (M+H)+=575.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07981903B2
Source datasetuspto-grants-2011_07
ORD IDord-df6642a2421d4a10b72b9b216979e8b3
Source noteuspto-grants-2011_07