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| CAS No.: | 50-33-9 |
|---|---|
| Name: | Phenylbutazone |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C19H20N2O2 |
| Molecular Weight: | 308.38 |
| Synonyms: | 1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine;1,2-Diphenyl-3,5-dioxo-4-n-butylpyrazolidine;1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione;3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine; |
| EINECS: | 200-029-0 |
| Density: | 1.173 g/cm3 |
| Melting Point: | 104-107 °C |
| Boiling Point: | 424.9 °C at 760 mmHg |
| Flash Point: | 174.3 °C |
| Solubility: | water: <0.1 g/100 mL at 23.5 °C |
| Appearance: | off-white powder |
| Hazard Symbols: |
 Xn, T
|
| Risk Codes: | 36/37/38-20/21/22-42/43-45 |
| Safety: | 36/37/39-26-45-22-53 |
| PSA: | 40.62000 |
| LogP: | 3.91780 |
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- 109-65-9
1-bromo-butane
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1,2-diphenylpyrazolidine-3,5-dione
A
- 50-33-9
Phenylbutazone
B
- 102886-57-7
4,4-dibutyl-1,2-diphenylpyrazolidine-3,5-dione
| Conditions | Yield |
|---|---|
| With potassium carbonate; sodium iodide In hexane; acetonitrile at 55℃; for 18h; Inert atmosphere; Cooling with ice; | A 85% B 15% |
| Conditions | Yield |
|---|---|
| With potassium carbonate; sodium iodide In hexane; acetonitrile at 55℃; for 22h; Inert atmosphere; Cooling with ice; | 78% |
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| Stage #1: diethyl butylmalonate With sodium ethanolate In ethanol at 20℃; Inert atmosphere; Schlenk technique; Stage #2: diphenyl hydrazine In ethanol for 24h; Reflux; Inert atmosphere; Schlenk technique; | 75% |
| With sodium ethanolate | |
| With sodium ethanolate |
| Conditions | Yield |
|---|---|
| With nickel; benzene |
| Conditions | Yield |
|---|---|
| With sodium ethanolate |
| Conditions | Yield |
|---|---|
| With diethyl ether; diethylamine |
| Conditions | Yield |
|---|---|
| With pyridine; ethanol |
- 50-33-9
Phenylbutazone
| Conditions | Yield |
|---|---|
| With sodium hydride; benzene |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: diethyl ether; bromine / Behandeln einer Loesung des Reaktionsprodukts in Aether mit Phosphor(V)-chlorid 2: diethyl ether; diethylamine View Scheme |
- 1229645-19-5
C20H23N2O6P
- 50-33-9
Phenylbutazone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol; water 2: human placental alkaline phosphatase; magnesium chloride; zinc(II) chloride / 37 °C / pH 7.4 / aq. buffer; Enzymatic reaction View Scheme |
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Chemistry
IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
Empirical Formula: C19H20N2O2
Molecular Weight: 308.3743g/mol
EINECS: 200-029-0
Structure of 4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine (CAS NO.50-33-9):
Index of Refraction: 1.59
Molar Refractivity: 88.7 cm3
Molar Volume: 262.7 cm3
Polarizability: 35.16×10-24cm3
Surface Tension: 47.3 dyne/cm
Density: 1.173 g/cm3
Flash Point: 174.3 °C
Enthalpy of Vaporization: 67.94 kJ/mol
Melting Point: 104-107 °C
Boiling Point: 424.9 °C at 760 mmHg
Vapour Pressure: 2E-07 mmHg at 25°C
Water Solubility: <0.1 g/100 mL at 23.5 ºC
Stability: Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals
Canonical SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey: VYMDGNCVAMGZFE-UHFFFAOYSA-N
Uses
4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine (50-33-9) is a non-steroidal anti-inflammatory compound. An inhibitor of cyclooxygenase that is also a substrate for peroxidation by cyclooxygenase.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intravenous | 100mg/kg (100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 36, 1969. | |
| dog | LD50 | intravenous | 121mg/kg (121mg/kg) | BEHAVIORAL: ANALGESIA | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 149, Pg. 571, 1964. |
| dog | LD50 | oral | 332mg/kg (332mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 265, 1980. |
| guinea pig | LD50 | oral | 250mg/kg (250mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1207, 1969. | |
| hamster | LD50 | oral | 1260mg/kg (1260mg/kg) | Archives of Toxicology, Supplement. Vol. 7, Pg. 365, 1984. | |
| mammal (species unspecified) | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | BEHAVIORAL: ANALGESIA | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 277, 1986. |
| mammal (species unspecified) | LD50 | oral | 700mg/kg (700mg/kg) | BEHAVIORAL: ANALGESIA | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 277, 1986. |
| man | TDLo | oral | 17500ug/kg/3W (17.5mg/kg) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED | Annals of Internal Medicine. Vol. 41, Pg. 1075, 1954. |
| man | TDLo | oral | 2426mg/kg/24H (2426mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Annals of Emergency Medicine. Vol. 20, Pg. 204, 1991. |
| man | TDLo | unreported | 200mg/kg/5W-I (200mg/kg) | VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED KIDNEY, URETER, AND BLADDER: HEMATURIA | British Medical Journal. Vol. 282, Pg. 950, 1981. |
| mouse | LD50 | intramuscular | 430mg/kg (430mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 97, 1977. |
| mouse | LD50 | intraperitoneal | 128mg/kg (128mg/kg) | Pharmaceutical Chemistry Journal Vol. 19, Pg. 33, 1985. | |
| mouse | LD50 | intravenous | 90mg/kg (90mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 36, 1969. | |
| mouse | LD50 | oral | 238mg/kg (238mg/kg) | Pharmacological Research Communications. Vol. 18, Pg. 241, 1986. | |
| mouse | LD50 | subcutaneous | 230mg/kg (230mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 7, Pg. 1022, 1955. | |
| mouse | LD50 | unreported | 128mg/kg (128mg/kg) | Farmatsevtichnii Zhurnal Vol. (5), Pg. 26, 1983. | |
| rabbit | LD50 | intravenous | 146mg/kg (146mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 129, 1960. |
| rabbit | LD50 | oral | 781mg/kg (781mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 265, 1980. |
| rat | LD50 | intramuscular | 220mg/kg (220mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 665, 1960. | |
| rat | LD50 | intraperitoneal | 142mg/kg (142mg/kg) | Farmaco, Edizione Scientifica. Vol. 14, Pg. 347, 1959. | |
| rat | LD50 | intravenous | 100mg/kg (100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 665, 1960. | |
| rat | LD50 | oral | 245mg/kg (245mg/kg) | BEHAVIORAL: ANALGESIA | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 48, 1959. |
| rat | LD50 | subcutaneous | 230mg/kg (230mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR | Oyo Yakuri. Pharmacometrics. Vol. 6, Pg. 1285, 1972. |
| women | TDLo | oral | 168mg/kg/4W-I (168mg/kg) | VASCULAR: OTHER CHANGES KIDNEY, URETER, AND BLADDER: CHANGES PRIMARILY IN GLOMERULI | Archives of Internal Medicine. Vol. 145, Pg. 685, 1985. |
| women | TDLo | unreported | 40mg/kg/4D-I (40mg/kg) | BLOOD: LEUKOPENIA BLOOD: AGRANULOCYTOSIS | Problemy Gematologii i Perelivaniia Krovi. Problems of Hematology and Blood Transfusion. Vol. 4(5), Pg. 48, 1959. |
Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 316.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 13 (1977),p. 183.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn,
T
Risk Statements: 36/37/38-20/21/22-42/43-45
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R42/43:May cause sensitization by inhalation and skin contact.
R45:May cause cancer.
Safety Statements: 36/37/39-26-45-22-53
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S22:Do not breathe dust.
S53:Avoid exposure - obtain special instructions before use.
RIDADR: 3249
RTECS: UQ8225000
HazardClass: 6.1(b)
PackingGroup: III
Hazardous Substances Data: 50-33-9(Hazardous Substances Data)
Suspected human carcinogen producing leukemia. A human poison by parenteral route. An experimental poison by ingestion, intraperitoneal, subcutaneous, intravenous, and intramuscular routes. Human systemic effects by ingestion and possibly other routes: fever, blood pressure increase, other unspecified vascular effects, damage to kidney tubules and glomeruli, decreased urine volume, blood in the urine, reduction in the number of white blood cells, and agranulocytosis. Experimental teratogenic and reproductive effects. Human mutation data reported. An eye irritant. An anti-inflammatory agent. When heated to decomposition it emits toxic fumes of NOx.
Specification
4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine , its cas register number is 50-33-9. It also can be called 'Esteve' ; 1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine ; 3,5-Dioxe-4 buty-1, diphenyl-pyrazolidine ; 5-24-05-00400 (Beilstein Handbook Reference) ; Alindor ; Alkabutazona ; Alqoverin ; Anerval ; Anpuzone ; Antadol ; Anuspiramin ; Arthrizon ; Artrizin ;
Artrizone ; Artropan ; Azobutyl ; Azolid ; Benzone ; Betazed ; Bizolin ; Bizolin 200 ; Bunetzone ; Busone ; Buta phen ;
Butacompren ; Butacote ; Butadion ; Butadiona ; Butadione ; Butadionum ; Butagesic ; Butalgina ; Butalidon ; Butaluy ;
Butaphen ; Butapirazol ; Butapirazole ; Butapyrazole ; Butarecbon ; Butartril ; Butartrina ; Butazina ; Butazolidin ;
Butazolidine ; Butazona ; Bute ; Butidiona ; Butiwas-simple ; Butone ; Butoz ; Butylpyrin ; Buvetzone ; Buzon ;
Chembutazone ; Digibutina ; Diossidone ; Diozol ; Diphebuzol ; Diphenylbutazone ; Ecobutazone ; Elmedal ; Equi bute ;
Equipalazone ; Eributazone ; Exrheudon N ; Febuzina ; Fenartil ; Fenibutal ; Fenibutasan ; Fenibutazona ; Fenibutol ;
Fenilbutazona ; Fenilbutazone ; Fenilbutina ; Fenilbutine ; Fenilidina ; Fenotone ; Fenylbutazon ; Intalbut ; Intrabutazone ;
Mephabutazon ; Phebuzin ; Phebuzine ; Phen-Buta-Vet ; Phenbutazol ; Phenopyrine ; Phenyl-mobuzon ; Pyrazolidin ;
Scanbutazone ; Schemergen ; UNII-GN5P7K3T8S . 4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine (CAS NO.50-33-9) is a off-whtie Solid.