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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1887595Generated: October 31, 2026

Dimethylformamide → Trifluoroacetic acid

https://huagongshe.com/reaction/1887595

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethylformamideHCID 6228—
Reactanttert-Butyl bromoacetateHCID 79177—
Reactant5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(3-(trifluoromethyl)phenyl)-1H-indole-1-carboxamideHCID 59394429—
ProductTrifluoroacetic acidHCID 64220.1%
Product{4-[1-(3-Trifluoromethyl-phenylcarbamoyl)-1H-indol-5-yloxy]-5,7-dihydro-pyrrolo[3,4-d]pyrimidin-6-yl}-acetic acidHCID 59394030—

Reaction Steps

5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(3-(trifluoromethyl)phenyl)-1H-indole-1-carboxamide (121.9 mg, 0.277 mmol) is dissolved in DMF (5 mL) and TEA (200 μl, 1.435 mmol) is added followed by t-butyl bromoacetate (101 μl, 0.693 mmol). The solution is stirred at rt overnight. The reaction is concentrated and then diluted with DCM (10 mL) and cooled to 0° C. TFA (5 mL) is then added and the ice bath is removed and the reaction is stirred at room temperature. The reaction is concentrated, basified with ammonium hydroxide, and diluted with ethyl acetate. The solution is then treated with 1N HCl. The ethyl acetate is removed, dried and concentrated to a residue. The residue is dissolved in DMSO and purified via HPLC (C18; 20-100% I/H2O with 0.1% TFA to obtain {4-[1-(3-Trifluoromethyl-phenylcarbamoyl)-1H-indol-5-yloxy]-5,7-dihydro-pyrrolo[3,4-d]pyrimidin-6-yl}-acetic acid. MS (ESI) m/z 498.9 (M+1); 1H NMR (400 MHz, MeOD) δ ppm 8.50 (s, 1H) 8.32 (d, J=8.84 Hz, 1H) 8.06 (s, 1H) 7.88-7.95 (m, 2H) 7.57 (t, J=7.96 Hz, 1H) 7.40-7.45 (m, 2H) 7.12 (dd, J=9.09, 2.02 Hz, 1H) 6.74 (d, J=3.79 Hz, 1H) 4.19 (d, J=9.35 Hz, 4H), 3.43 (s, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08501756B2
Source datasetuspto-grants-2013_08
ORD IDord-986c3cd0ef3945a2925633921e60321f
Source noteuspto-grants-2013_08