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
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium Carbonate | HCID 10340 | — |
| Reactant | 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea | HCID 16125103 | — |
| Reactant | 4-Iodo-7-(4-morpholinylmethyl)-1h-indazol-3-amine | HCID 16125511 | — |
| Catalyst | HCID 178418397 | HCID 178418397 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | n-{4-[3-Amino-7-(4-morpholinylmethyl)-1h-indazol-4-yl]phenyl}-n'-[3-(trifluoromethyl)phenyl]urea | HCID 11341195 | 49% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08642776B2 |
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| Source dataset | uspto-grants-2014_02 |
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| ORD ID | ord-7808a13adee742128d01154fb899f7ed |
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| Source note | uspto-grants-2014_02 |
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