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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 711469Generated: October 31, 2026

Water → tert-Butyl (1S,2R)-2-(4-chloro-2-(2,4-dimethoxybenzyl)-7-fluoro-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)cyclohexylcarbamate

https://huagongshe.com/reaction/711469

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantDiisopropylethylamineHCID 81531—
Reactant(1S,2R)-Cyclohexane-1,2-diamine, N1-BOC protectedHCID 1514389—
Reactant4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H,2H,3H-pyrrolo[3,4-c]pyridin-3-oneHCID 58317575—
SolventAcetonitrileHCID 6342—
SolventEthyl AcetateHCID 8857—
Producttert-Butyl (1S,2R)-2-(4-chloro-2-(2,4-dimethoxybenzyl)-7-fluoro-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)cyclohexylcarbamateHCID 8665471246.6%

Reaction Conditions

Temperature100 °C

Reaction Steps

A mixture of 4,6-dichloro-2-(2,4-dimethoxybenzyl)-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one (4.8 g, 12.93 mmol) and tert-butyl (1S,2R)-2-aminocyclohexylcarbamate (4.16 g, 19.40 mmol) and diisopropylethylamine (3.39 mL, 19.40 mmol) in ACN (20 mL) was stirred at 100° C. for 3 days. Water and EtOAc were added and the aqueous phase was extracted with EtOAc. The organic phases were combined, washed with brine, dried over MgSO4, and evaporated. The residue was purified by chromatography on SiO2 (Hexane/EtOAc=1/1) to give the title compound as a brown amorphous solid (3.31 g, 46.6%). 1H NMR (500 MHz, CDCl3) δ ppm 1.35-2.02 (m, 17H), 3.80 (s, 3H), 3.84 (s, 3H), 4.01 (br s, 1H), 4.20 (s, 2H), 4.23 (br s, 1H), 4.66 (s, 2H), 4.91 (br s, 1H), 6.40-6.52 (m, 2H), 7.20-7.28 (m, 1H). [M+H] calc'd for C27H34ClFN4O5, 549. found, 549.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09181255B2
Source datasetuspto-grants-2015_11
ORD IDord-1bb3fc6c20d54258bbbe715fe988299d
Source noteuspto-grants-2015_11