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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1479581Generated: October 31, 2026

Sodium Carbonate → HCID 58213708, compound

https://huagongshe.com/reaction/1479581

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
Reactanttert-Butyl (5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamateHCID 46737997—
ReactantHCID 66874895HCID 66874895—
CatalystHCID 178418397HCID 178418397—
SolventMethanolHCID 887—
SolventTolueneHCID 1140—
SolventDichloromethaneHCID 6344—
ProductHCID 58213708HCID 58213708—

Reaction Steps

A solution of 3-chloro-5-(4-propoxyphenethyl)picolinonitrile (from the previous step) (1.0 eq.), tert-butyl 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate (from Example 5/Step 2) (1.1 eq.), tetrakis(triphenylphosphine)palladium (8 mol %), and 2N aqueous sodium carbonate solution (3.0 eq.) in toluene (0.2 M) was stirred at 100° C. overnight. After cooling to ambient temperature, the reaction mixture was diluted with 2% MeOH in DCM. The two phases were separated. The combined organic layers were washed with brine, dried over anhydrous MgSO4, and concentrated en vaccuo. The crude material was purified by flash chromatography on a COMBIFLASH® system (ISCO) using 0-40% ethyl acetate in toluene to give 8-methyl-2-(4-propoxyphenethyl)benzo[f][1,7]naphthyridin-5-amine. 1H NMR (Acetone-d6): δ 8.74 (s, 1H), 8.67 (s, 1H), 8.24 (d, 1H), 7.41 (s, 1H), 7.15-7.17 (m, 3H), 6.81 (d, 2H), 6.5 (br, 2H), 3.87 (t, 2H), 3.18 (t, 2H), 3.04 (t, 2H), 2.44 (s, 3H), 1.73 (m, 2H), 0.99 (t, 3H). LRMS [M+H]=372.2

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09408907B2
Source datasetuspto-grants-2016_08
ORD IDord-ba8df2da48df4d4facb2df00f45bc878
Source noteuspto-grants-2016_08