HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 723060Generated: October 30, 2026
Trifluoroacetic acid → 5-Methylsulfanyl-4-[3'-(2,2,2-trifluoro-acetyl)-biphenyl-3-sulfonyl]-thiophene-2-carboxamidine trifluoroacetate
https://huagongshe.com/reaction/723060
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | CID 145857679 | HCID 145857679 | — |
| Product | 5-Methylsulfanyl-4-[3'-(2,2,2-trifluoro-acetyl)-biphenyl-3-sulfonyl]-thiophene-2-carboxamidine trifluoroacetate | HCID 21886213 | 80% |
Reaction Steps
(Imino-{5-methylsulfanyl-4-[3′-(2,2,2-trifluoro-acetyl)-biphenyl-3-sulfonyl]-thiophen-2-yl}-methyl)-carbamic acid tert-butyl ester (30 mg, 0.051 mmol, as prepared in Example 29, step a) was treated with trifluoroacetic acid (50% in DCM) for 1 hr at rt. The reaction mixture was concentrated in vacuo and the residue obtained was purified using C18-HPLC (20–60% CH3CN in H2O (0.1% TFA) over 25 min) to give 20 mg (80%) of the title compound as a white solid. 1H-NMR (CD3OD; 400 MHz) δ 8.35 (s, 1H), 8.33 (t, 1H, J=1.7 Hz), 7.98–8.07 (m, 2H), 7.90–7.93 (m, 1H), 7.68–7.78 (m, 3H), 7.60 (t, 1H, J=7.8 Hz), 2.77 (s, 3H). 19F-NMR (CDCl3; 400 MHz) δ −84.99 (s). ESI-MS (m/z): Calcd. for C20H15F3N2O3S3: 485.5 (M+H); found: 485.3, 503.3 (M+H2O), 517.3 (M+CH3OH).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US07138530B2 |
|---|
| Source dataset | uspto-grants-2006_11 |
|---|
| ORD ID | ord-01dd2a6cd0334bcebbc24eec67a400e3 |
|---|
| Source note | uspto-grants-2006_11 |
|---|