Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 2-Methylphenyl boronic acid | HCID 2733267 | — |
| Reactant | HCID 68487682 | HCID 68487682 | — |
| Catalyst | Palladium Chloride | HCID 24290 | — |
| Catalyst | Ferrocene-1,1'-bis-(diphenylphosphine) | HCID 635956 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 68487879 | HCID 68487879 | 90% |
Reaction Steps
A mixture of potassium carbonate (85.4 mg 0.618 mmol), 2-methylphenylboronic acid (63.3 mg, 0.466 mmol), 1-[6-iodo-4-oxo-3-(2-trimethylsilanyl-ethoxymethyl)-3,4-dihydro-quinazolin-2-yl]-1H-pyrazole-4-carboxylic acid ethyl ester (110 mg, 0.204 mmol), and THF (1.5 ml) was degassed for 5 minutes with nitrogen in a sealable tube. The dichloromethane adduct of 1,1′-bis(diphenylphosphino)ferrocene]dichloro palladium (20.2 mg, 0.0246 mmol) was added to the reaction mixture and the pressure tube was sealed. The reaction mixture was stirred at 80° C. for 18 h. The reaction mixture was cooled to 23° C., diluted with DCM (10 ml), and filtered. The filtrate was concentrated. The residue was purified by FCC (3-40% EtOAc/hexanes) to yield the titled compound (92.0 mg, 90%). MS (ESI): mass calcd. for C27H32N4O4Si, 504.22; m/z found, 446.6 [M−CH2OCH2CH2+H]+. 1H NMR (600 MHz, CDCl3): 8.68 (d, J=0.6 Hz, 1H), 8.31-8.30 (m, 1H), 8.18 (d, J=0.6 Hz, 1H), 7.79 (dd, J=8.3, 2.1 Hz, 1H), 7.76-7.74 (m, 1H), 7.33-7.28 (m, 4H), 5.91 (s, 2H), 4.39-4.35 (m, 2H), 4.37 (q, J=7.2 Hz, 2H), 2.31 (s, 3H), 1.39 (t, J=7.1 Hz, 3H), 0.83-0.79 (m, 2H), −0.08 (s, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08937078B2 |
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| Source dataset | uspto-grants-2015_01 |
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| ORD ID | ord-58215e58428b4935a76edc4151dbcc9c |
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| Source note | uspto-grants-2015_01 |
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