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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1599071Generated: November 4, 2026

Trifluoroacetic acid → HCID 18929594, compound

https://huagongshe.com/reaction/1599071

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 86752411HCID 86752411—
ProductHCID 18929594HCID 18929594110%

Reaction Steps

A mixture of 84 mg of 3-(3-{7-fluoro-1-[isopropyl-(4-methoxy-phenyl)-carbamoylmethyl]-2,4-dioxo-5-pyridin-3-yl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-ureido)-benzoic acid tert butyl ester (0.118 mmol) and 4 mL of trifluoroacetic acid was stirred under nitrogen for 1.5 hrs. The trifluoroacetic acid was removed in vacuo and the residue was triturated with diethyl ether. The slurry was filtered, washed with diethyl ether and dried under high vacuum to provide 85 mg the title compound as a white crystalline trifluoroacetic acid salt. 1H NMR (300 MHz, d6-DMSO) d 9.33 (s, 1H), 8.70 (b, 1H), 8.57 (d, 1H, J=4.7), 8.00 (m, 1H), 7.97 (d, 1H, J=8.6), 7.61 (dd, 1H, J=5.5, 9.1), 7.55 (dd, 1H, J=4.88, 8.2), 7.47 (m, 2H), 7.26 (m, 4H), 7.05 (d, 2H, J=9.0), 6.92 (d, 1H, J=7.8) 6.82 (dd, 1H, J=2.8, 9.6), 5.10 (d, 1H, J=7.6), 4.72 (m, 1H), 4.51 (d, 1H, J=16.8), 4.14 (d, 1H, J=16.8), 3.78 (s, 3H), 0.92 (m, 6H); low resolution MS (FAB)m/e 655 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05739129
Source datasetuspto-grants-1998_04
ORD IDord-df760d9ad6494bcdacdc10e9272ce880
Source noteuspto-grants-1998_04