HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1807752Generated: October 29, 2026
Phenyl isocyanate → 1-(2-Fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-phenylurea
https://huagongshe.com/reaction/1807752
Participants
| Role | Name | HCID | Charge |
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| Reactant | Phenyl isocyanate | HCID 7672 | — |
| Reactant | (4-Amino-3-fluorophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone | HCID 86638550 | — |
| Product | 1-(2-Fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-phenylurea | HCID 59175869 | 56.8% |
Reaction Steps
(4-Amino-3-fluorophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone (0.209 mmol, 0.1 g) and isocyanatobenzene (0.229 mmol, 0.025 mL, 0.027 g) were combined and heated in the microwave at 100° C. for 10 minutes. Further isocyanatobenzene (0.229 mmol, 0.025 mL, 0.027 g) was added and the reaction heated in the microwave for a further 10 minutes at 100° C. The reaction mixture was concentrated under reduced pressure and purified by acidic preparative HPLC to afford the title compound (71 mg). MS (ESI) m/z 599.0 [M+H]+
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08357679B2 |
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| Source dataset | uspto-grants-2013_01 |
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| ORD ID | ord-03a5683b562948e3a3185c5ebeba6751 |
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| Source note | uspto-grants-2013_01 |
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