HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluoro-3-(trifluoromethyl)phenyl isocyanate → 3-(4-Fluoro-3-trifluoromethyl-Phenyl)-1-methyl-1-{4-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-[1,3,5]triazin-2-yl}-urea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Fluoro-3-(trifluoromethyl)phenyl isocyanate | HCID 2733383 | — |
| Reactant | N-Methyl-N'-[4-(4-ethyl-piperazin-1-yl)-phenyl]-[1,3,5]triazine-2,4-diamine | HCID 66669998 | — |
| Solvent | Toluene | HCID 1140 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 3-(4-Fluoro-3-trifluoromethyl-Phenyl)-1-methyl-1-{4-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-[1,3,5]triazin-2-yl}-urea | HCID 57710234 | — |
Reaction Conditions
| Temperature | 100 °C |
|---|
Reaction Steps
To a solution of N-methyl-N′-[4-(4-ethyl-piperazin-1-yl)-phenyl]-[1,3,5]triazine-2,4-diamine (24 mg, 0.077 mmol) in 1.5 ml THF and 2.5 ml toluene, 4-fluoro-3-trifluoromethyl-phenyl-isocyanate (25 μl, 0.17 mmol) is added and the mixture is stirred for 5 h at 100° C. Workup analogously as described in Example 171 gives the title compound: ESI-MS: 519 [MH]+; tR=4.3 min (purity: 100%, gradient J); TLC: Rf=0.43 (DCM/MeOH 9).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08552002B2 |
| Source dataset | uspto-grants-2013_10 |
| ORD ID | ord-0563d810177a407a9a0c7fe5a9ea128b |
| Source note | uspto-grants-2013_10 |