HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1599071Generated: November 4, 2026
Trifluoroacetic acid → HCID 18929594, compound
https://huagongshe.com/reaction/1599071
Participants
| Role | Name | HCID | Charge |
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| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | HCID 86752411 | HCID 86752411 | — |
| Product | HCID 18929594 | HCID 18929594 | 110% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05739129 |
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| Source dataset | uspto-grants-1998_04 |
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| ORD ID | ord-df760d9ad6494bcdacdc10e9272ce880 |
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| Source note | uspto-grants-1998_04 |
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