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Basic Information
| CAS No.: | 170569-88-7 |
|---|---|
| Name: | 4-[5-(4-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENE-1-SULFONAMIDE |
| Article Data: | 34 |
| Molecular Structure: | |
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|
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| Formula: | C16H11F4N3O2S |
| Molecular Weight: | 385.342 |
| Synonyms: | 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;Mavacoxib;PHA 739,521; |
| Density: | 1.51±0.1 g/cm3(Predicted) |
| Melting Point: | 167-169°C |
| Boiling Point: | 519.8±60.0 °C(Predicted) |
| PSA: | 86.36000 |
| LogP: | 5.12570 |
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Synthetic route
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| With sulfuric acid at 20℃; for 8h; | 99% |
- 70862-56-5
5-(4-fluorophenyl)-3-(trifluoromethyl)isoxazole
- 17852-52-7, 27918-19-0
4-hydrazinobenzene-1-sulfonamide hydrochloride
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| With acetic acid In ethanol at 80℃; for 10h; regioselective reaction; | 95% |
- 582-65-0
1-(4-fluorophenyl)-4,4,4-trifluoro-1,3-butanedione
- 17852-52-7, 27918-19-0
4-hydrazinobenzene-1-sulfonamide hydrochloride
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| In methanol; water at 120℃; under 24002.4 Torr; for 0.221667h; Flow reactor; | 82% |
| In ethanol for 20h; Heating; Yield given; | |
| In ethanol for 20h; Heating / reflux; |
- 383-63-1
ethyl trifluoroacetate,
- 403-42-9
1-(4-fluorophenyl)ethanone
- 17852-52-7, 27918-19-0
4-hydrazinobenzene-1-sulfonamide hydrochloride
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: ethyl trifluoroacetate,; 1-(4-fluorophenyl)ethanone; 4-hydrazinobenzene-1-sulfonamide hydrochloride With hydrogenchloride; sodium methylate In methanol; isopropyl alcohol at 55℃; for 2h; Stage #2: 4-hydrazinobenzene-1-sulfonamide hydrochloride With hydrogenchloride In water; isopropyl alcohol at 20 - 70℃; for 8h; | 80% |
| Stage #1: ethyl trifluoroacetate,; 1-(4-fluorophenyl)ethanone With sodium methylate In methanol; isopropyl alcohol at 55℃; for 2.25h; Stage #2: 4-hydrazinobenzene-1-sulfonamide hydrochloride With trifluoroacetic acid In methanol; isopropyl alcohol at 20 - 55℃; for 11h; Stage #3: With sodium hydroxide In methanol; water; isopropyl alcohol pH=6 - 7; |
...Expand
- 428486-70-8
N,N-dibenzyl-4-iodobenzenesulfonamide
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dibenzyl-p-iodobenzenesulfonamide; 5-(4-fluoridophenyl)-3-(trifluoridomethyl)-1H-pyrazole With copper(l) iodide; potassium carbonate; cis-N,N'-dimethyl-1,2-diaminocyclohexane In 1,4-dioxane at 150℃; for 24h; Microwave irradiation; Inert atmosphere; Stage #2: With sulfuric acid at 20℃; for 4h; Microwave irradiation; Inert atmosphere; | 43% |
- 403-42-9
1-(4-fluorophenyl)ethanone
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaOMe / methanol / 24 h / Heating 2: ethanol / 20 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: sodium hydride / tetrahydrofuran 2: hydrogenchloride / ethanol / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C 1.2: 12 h / 0 - 25 °C 2.1: methanol; water / 0.22 h / 120 °C / 24002.4 Torr / Flow reactor View Scheme |
- 170569-87-6
4-(5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
- 170569-88-7
mavacoxib
- 582-65-0
1-(4-fluorophenyl)-4,4,4-trifluoro-1,3-butanedione
- 4392-54-5
4-aminosulfonylphenylhydrazine
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol Reflux; |
- 459-57-4
4-fluorobenzaldehyde
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: acetic acid; piperidine / benzene / 26 h / 0 - 20 °C 2: toluene-4-sulfonic acid hydrazide; sodium acetate / ethanol / 12 h / 80 °C / Schlenk technique 3: copper(l) iodide; potassium carbonate; cis-N,N'-dimethyl-1,2-diaminocyclohexane / 1,4-dioxane / 150 °C / Schlenk technique; Inert atmosphere 4: sulfuric acid / 8 h / 20 °C View Scheme |
- 101048-46-8
(E)-1,1,1-trifluoro-4-(4-fluorophenyl)but-3-en-2-one
- 170569-88-7
mavacoxib
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: toluene-4-sulfonic acid hydrazide; sodium acetate / ethanol / 12 h / 80 °C / Schlenk technique 2: copper(l) iodide; potassium carbonate; cis-N,N'-dimethyl-1,2-diaminocyclohexane / 1,4-dioxane / 150 °C / Schlenk technique; Inert atmosphere 3: sulfuric acid / 8 h / 20 °C View Scheme |
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4-[5-(4-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENE-1-SULFONAMIDE
