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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 923883Generated: October 30, 2026

1,2-Dimethoxyethane → HCID 89908214, compound

https://huagongshe.com/reaction/923883

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,2-DimethoxyethaneHCID 8071—
ReactantSodium CarbonateHCID 10340—
Reactant(Pyrimidin-5-yl)boronic acidHCID 2795193—
Reactant(S)-5-Bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideHCID 89907992—
CatalystHCID 178418476HCID 178418476—
SolventEthanolHCID 702—
SolventWaterHCID 962—
ProductHCID 89908214HCID 89908214—

Reaction Steps

(S)-5-Bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide (Stage 65.1, 60 mg, 0.130 mmol), pyrimidin-5-ylboronic acid (32.3 mg, 0.261 mmol), Pd(PPh3)2Cl2 (9.15 mg, 0.013 mmol) and Na2CO3 (41.5 mg, 0.391 mmol) were added to a MW vial and treated with a mixture of DME (553 μL), water (158 μL) and EtOH (79 μL). The vial was sealed, evacuated/purged with argon and was subjected to MW irradiation at 120° C. for 10 min. The RM was diluted with DME (2 mL), treated with Si-Thiol (1.44 mmol/g, 45.3 mg, 0.065 mmol), centrifuged, the supernatant was filtered and the solvent was evaporated off under reduced pressure to give a residue which was purified by preparative SFC (Column Silica, from 23% to 28% in 6 min.) to yield the title compound as a white amorphous solid. UPLC-MS (Condition 3) tR=0.94 min, m/z=460.4 [M+H]+, m/z=458.3 [M−H]−; 1H-NMR (400 MHz, DMSO-d6) δ ppm 1.20 (s, 3H) 1.66-1.84 (m, 2H) 2.95 (d, J=11.80 Hz, 1H) 3.02 (d, J=11.17 Hz, 1H) 3.17-3.26 (m, 1H) 3.37-3.47 (m, 1H) 4.75 (s, 1H) 7.35 (d, J=8.53 Hz, 2H) 7.85 (d, J=9.16 Hz, 2H) 8.10 (d, J=2.38 Hz, 1H) 8.78 (d, J=2.13 Hz, 1H) 8.89 (s, 2H) 9.16-9.24 (m, 1H) 10.18 (s, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09278981B2
Source datasetuspto-grants-2016_03
ORD IDord-432f7db510db4ad89ebbffa7034f4ef3
Source noteuspto-grants-2016_03