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1-Bromo-4-fluorobenzene → 8-(1-(4-fluorophenyl)pyrrolidin-2-yl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide

HRID 462
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HRID 462 반응식
CN(C)C(=O)c1cc(C2CCCN2)c2oc(N3CCOCC3)cc(=O)c2c1.Fc1ccc(Br)cc1>C1COCCO1.CC(=O)O.CC(=O)O.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.O=C([O-])[O-].[Cs+].[Cs+].[Pd]>CN(C)C(=O)c1cc(C2CCCN2c2ccc(F)cc2)c2oc(N3CCOCC3)cc(=O)c2c1
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참가 물질

7

반응물 2

HCID 99931-Bromo-4-fluorobenzeneHCID 86672428N,N-dimethyl-2-morpholino-4-oxo-8-(pyrrolidin-2-yl)-4H-chromene-6-carboxamide

생성물 1

HCID 866724318-(1-(4-fluorophenyl)pyrrolidin-2-yl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide수율 19.15%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 4144353
Palladium (II) acetate
촉매
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl촉매
HCID 312751,4-Dioxane용매

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온도
100 °C

실험 절차

diacetoxypalladium (0.756 mg, 3.37 µmol) was added to a stirred mixture of N,N-dimethyl-2-morpholino-4-oxo-8-(pyrrolidin-2-yl)-4H-chromene-6-carboxamide (25 mg, 0.07 mmol), [Reactants], 1-bromo-4-fluorobenzene (9.24 µl, 0.08 mmol) and cesium carbonate (32.9 mg, 0.10 mmol) dissolved in 1,4-dioxane (1.5 ml). The resulting suspension was degased with argon and then stirred at 100 °C for 15 hours. The reaction mixture was allowed to cool to room temperature and concentrated. The crude product was dissolved in 2ml of DMA. The reaction mixture was purified by preparative HPLC using a Waters X-Bridge reverse-phase column (C-18, 5 microns silica, 30 mm diameter, 150 mm length, flow rate of 60 ml / minute) and decreasingly polar mixtures of water (containing 0.2% ammonium carbonate) and acetonitrile as eluent. The fractions containing the desired compound were evaporated to dryness to afford 8-(1-(4-fluorophenyl)pyrrolidin-2-yl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide (6.00 mg, 19.15 %) as a solid.

출처 및 근거

ORD 기록
ord-a63ed86656ab46e9b98fdae5bdec4fe4
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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