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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 516124Generated: October 29, 2026

Trifluoroacetic acid → Trifluoroacetic acid

https://huagongshe.com/reaction/516124

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 67238382HCID 67238382—
ProductTrifluoroacetic acidHCID 642271%
ProductHCID 53251011HCID 53251011—

Reaction Conditions

Temperature60 °C

Reaction Steps

A mixture of 6-((1R,2S)-2-aminocyclohexylamino)-2-(2,4-dimethoxybenzyl)-7-fluoro-1-methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one (20 mg, 0.039 mmol) and TFA (1 mL) was heated at 60° C. for 2 h. Following reaction, the mixture was purified by preparative HPLC eluting with water (0.05% TFA) and ACN (15-25% gradient, 0.035% TFA) to give the title compound as a TFA salt (10 mg, 71%). 1H NMR (500 MHz, DMSO-d6) δ ppm 1.41 (d, J=6.59 Hz, 3 H), 1.46 (d, J=7.02 Hz, 2 H), 1.60-1.84 (m, 5 H), 3.68 (br s, 1 H), 3.89 (s, 2 H), 4.44 (br s, 1 H), 4.71 (q, J=6.65 Hz, 1 H), 6.52 (br s, 1 H), 6.73 (d, J=6.53 Hz, 1 H), 7.72 (br s, 2 H), 8.24-8.32 (m, 1 H), 8.46 (s, 1 H), 8.82 (s, 1 H). [M+H] calc'd for C18H23FN6O, 359; found, 359.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09108970B2
Source datasetuspto-grants-2015_08
ORD IDord-e609caf79cc647d6a4785daeaea18de0
Source noteuspto-grants-2015_08