HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 394105Generated: October 31, 2026
Water → Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}piperazine-2-carboxylate
https://huagongshe.com/reaction/394105
Participants
| Role | Name | HCID | Charge |
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| Reactant | Water | HCID 962 | — |
| Reactant | Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-1-isopropylpiperazine-2-carboxylate | HCID 10233169 | — |
| Solvent | Trifluoroacetic acid | HCID 6422 | — |
| Product | Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}piperazine-2-carboxylate | HCID 22648143 | — |
Reaction Steps
To the solution of tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-1-isopropylpiperazine-2-carboxylate (EXAMPLE AAA11, 30 mg, 0.047 mmol) in trifluoroacetic acid (0.6 mL) was added water (0.03 mL). The reaction was stirred at rt for 20 h. Removal of the solvent and subsequent addition of ether resulted in a white precipitate. Filtration of the precipitate followed by washing with ether provided the title compound. 1H NMR (CDCl3, 500 MHz): δ 1.22 (d, 3H, J=7.0 Hz), 1.24 (d, 3H, J=6.9 Hz), 3.12(m, 2H), 3.30 (m, 1H), 3.44 (m, 1H), 3.50 (abq, 2H, J=7.1 Hz), 3.74 (m, 1H), 3.81 (m, 1H), 3.96 (m, 1H), 4.07 (m, 1H), 4.28 (dd, 1H, J1=14.6 Hz, J2=5.7 Hz), 4.42 (dd, 1H, J1=14.9 Hz, J2=10.1 Hz), 5.80 (brs, 1H), 6.13 (d, 1H, J=9.8 Hz), 6.95 (s, 1H), 7.32-7.58 (m, 7H). MS (API-ES+): 589 (M+H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06809199B2 |
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| Source dataset | uspto-grants-2004_10 |
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| ORD ID | ord-0507c88ec8c34b1c90373eb2b45b9290 |
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| Source note | uspto-grants-2004_10 |
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