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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 914194Generated: November 3, 2026

Trifluoroacetic acid → HCID 57955563, compound

https://huagongshe.com/reaction/914194

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
Reactanttert-butyl (3R)-3-aminopiperidine-1-carboxylateHCID 1501974—
Reactant4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acidHCID 25253679—
ProductHCID 57955563HCID 57955563—

Reaction Steps

The title compound was synthesized from 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid and (R)-tert-butyl 3-aminopiperidine-1-carboxylate as described in the General procedure for amide bond synthesis. The Boc group was then deprotected using TFA. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.47 (m, 3H) 1.61 (m, 9H) 1.99 (s, 3H) 2.73 (m, 1H) 2.93 (m, 1H) 3.92 (s, 4H) 4.01-4.20 (t, J=14 Hz, 2H) 4.82 (m, 1H) 7.24 (d, J=6.8 Hz, 1H) 7.71-7.90 (m, 1H) 8.05 (s, 1H) 8.14-8.38 (m, 2H). [M+H] calc'd for C26H32F3N7O3, 548. found 548.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08026234B2
Source datasetuspto-grants-2011_09
ORD IDord-39487f512d3e4ff89d0d8ba770e3bc09
Source noteuspto-grants-2011_09