HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 506500Generated: October 26, 2026
Diisopropylethylamine → 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
https://huagongshe.com/reaction/506500
Participants
| Role | Name | HCID | Charge |
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| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Sodium Bromide | HCID 253881 | — |
| Reactant | 2-(tert-Butyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine | HCID 18399610 | — |
| Reactant | 1-(4-bromobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one | HCID 43165244 | — |
| Reactant | 1-(4-chlorobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one | HCID 61722200 | — |
| Solvent | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one | HCID 44407436 | — |
Reaction Steps
A mixture of 1-(4-chlorobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one and 1-(4-bromobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (0.40 g), 2-tert-butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (1.59 mmol, 0.46 g, prepared as in DE 19735410), NaBr (7.94 mmol, 0.82 g), diisopropylethylamine (15.57 mmol, 2.01 g) and N-methylpyrrolidinone (0.6 ml) was heated at 120° C. for 5 hours. The suspension was then filtered, and the filtrate was evaporated to dryness. The residue was taken up in ethyl acetate and extracted with saturated brine. The organic phase was dried, the desiccant was filtered off, and the solution was evaporated to dryness. The residue was purified by chromatography on silica gel (eluent: dichloromethane/MeOH (0-100%), resulting in 0.58 g of the title compound.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07786105B2 |
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| Source dataset | uspto-grants-2010_08 |
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| ORD ID | ord-76efdb8490834b2b897dd9ba22b01bbe |
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| Source note | uspto-grants-2010_08 |
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