HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1948033Generated: October 31, 2026
Trifluoroacetic acid → HCID 178476876, compound
https://huagongshe.com/reaction/1948033
Participants
| Role | Name | HCID | Charge |
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| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | HCID 178476875 | HCID 178476875 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 178476876 | HCID 178476876 | 95.7% |
Reaction Steps
To a solution of diethyl[4-({4-[(7-{trans-4-[(di-tert-butoxyphosphoryl)oxy]cyclohexyl}-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-3-methoxybenzyl]phosphonate (Compound 228A, 38.5 mg, 0.044 mmol) in THF (2 mL) was added TFA (1 mL). The reaction mixture was stirred at rt for 1 h. Solvents were then removed in vacuo and the residue was purified by MDP (formic acid conditions) to obtain 31.9 mg of the desired product (yield: 95%). 1H NMR (DMSO-d6, 400 MHz): δ=1.19 (t, J=7.6 Hz, 6H), 1.41-1.46 (m, 2H), 1.66-1.76 (m, 4H), 2.12-2.15 (m, 2H), 2.49 (m, 1H), 3.04 (s, 3H), 3.29 (d, J=21.20 Hz, 2H), 3.73 (s, 3H), 3.96-4.03 (m, 4H), 4.12 (m, 1H), 4.47 (s, 2H), 6.89 (d, J=7.6 Hz, 1H), 7.05 (s, 1H), 7.36 (d, J=8.8 Hz, 1H), 7.43 (s, br, 1H), 8.36 (d, J=0.8 Hz, 1H), 8.98 (s, 1H), 10.54 (s, 1H). MS (ES+): m/z 758.21 [MH+]. HPLC: tR=1.27 min (UPLC TOF, polar—3 min).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08399433B2 |
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| Source dataset | uspto-grants-2013_03 |
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| ORD ID | ord-b3a75b26ab654e25a95cf04c9474060c |
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| Source note | uspto-grants-2013_03 |
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