HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1891377Generated: November 1, 2026
Sodium Hydroxide → 1-[2-chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenyl]-6-methyl-4-trifluoromethyl-1H-pyrimidin-2-one
https://huagongshe.com/reaction/1891377
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium Hydroxide | HCID 14798 | — |
| Reactant | 1,1,1-Trifluoro-2,4-pentanedione | HCID 73943 | — |
| Reactant | HCID 68468856 | HCID 68468856 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Sulfuric Acid | HCID 1118 | — |
| Product | 1-[2-chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenyl]-6-methyl-4-trifluoromethyl-1H-pyrimidin-2-one | HCID 68472325 | — |
Reaction Steps
To [2-chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenyl]-urea (38 mg, 0.1 mmol) in 13% (v/v) H2SO4 in EtOH was added 1,1,1-trifluoro-2,4-pentanedione (15 μL, 0.15 mmol). The mixture was heated at 80° C. for 6 hrs, followed by neutralization with 6N NaOH solution. Purification by prep. LCMS yielded 1-[2-chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenyl]-6-methyl-4-trifluoromethyl-1H-pyrimidin-2-one 13-1. MS: 497.7 (M+H)+; tR=8.14 min (method 2).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08507536B2 |
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| Source dataset | uspto-grants-2013_08 |
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| ORD ID | ord-ae34498e48374967985c3a82645ff36f |
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| Source note | uspto-grants-2013_08 |
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