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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 239870Generated: October 25, 2026

Sodium Carbonate → n-{4-[3-Amino-7-(4-morpholinylmethyl)-1h-indazol-4-yl]phenyl}-n'-[3-(trifluoromethyl)phenyl]urea

https://huagongshe.com/reaction/239870

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
Reactant1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)ureaHCID 16125103—
Reactant4-Iodo-7-(4-morpholinylmethyl)-1h-indazol-3-amineHCID 16125511—
CatalystHCID 178418397HCID 178418397—
SolventEthanolHCID 702—
SolventWaterHCID 962—
SolventTolueneHCID 1140—
Productn-{4-[3-Amino-7-(4-morpholinylmethyl)-1h-indazol-4-yl]phenyl}-n'-[3-(trifluoromethyl)phenyl]ureaHCID 1134119549%

Reaction Conditions

Temperature145 °C

Reaction Steps

A solution of Example 15F (80 mg, 0.22 mmol) and N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N′-[3-(trifluoromethyl)phenyl]urea (108 mg, 0.268 mmol) in toluene (2 mL) and ethanol (1.5 mL) was treated with a solution of Na2CO3 (58 mg) in water (1 mL), degassed with nitrogen for 2 minutes, treated with Pd(PPh3)4 (13 mg, 0.011 mmol), and degassed with nitrogen for another 2 minutes. The vial was capped and heated to 140-150° C. for 8-10 minutes with stirring in a Smith Synthesizer microwave oven (at 300 W). The reaction was poured into water and extracted three times with ethyl acetate. The combined extracts were washed with water and brine, dried (MgSO4), filtered, and concentrated. The concentrate was purified by HPLC using the conditions in Example 15H to provide 55 mg of the desired product as the trifluoroacetate salt. 1H NMR (300 MHz, DMSO-d6) δ 3.10-4.08 (m, 8H), 4.55 (s, 2H), 6.92 (d, J=7.12 Hz, 1H), 7.32 (d, J=7.46 Hz, 1H), 7.38-7.47 (m, 3H), 7.53 (t, J=7.80 Hz, 1H), 7.58-7.69 (m, 3H), 8.06 (s, 1H), 9.17 (s, 1H), 9.30 (s, 1H); MS (ESI(+)) m/e 511 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08642776B2
Source datasetuspto-grants-2014_02
ORD IDord-7808a13adee742128d01154fb899f7ed
Source noteuspto-grants-2014_02