CAS No.57-96-5,(+/-)-Sulfinpyrazone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	57-96-5
Name:	(+/-)-Sulfinpyrazone
Article Data:	6

Formula:	C₂₃H₂₀N₂O₃S
Molecular Weight:	404.489
Synonyms:	1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione;1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione;4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione;Anturan;Anturane;Anturanil;Anturen;Anturidin;Diphenylpyrazone;Enturan;Enturen;G 28315;NSC75925;Sulfinpyrazon;Sulfinpyrazone;Sulfoxyphenylpyrazolidine;Sulphinpyrazone;
EINECS:	200-357-4
Density:	1.39 g/cm³
Melting Point:	>300°C(lit.)
Boiling Point:	590.8 °C at 760 mmHg
Flash Point:	311.1 °C
Solubility:	2.601g/L(22 oC)
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36
PSA:	76.90000
LogP:	4.79120

Synthetic route

: 7722-86-3
caro's acid

: 3736-92-3
4-[2-(phenylthio)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

Conditions

Conditions	Yield
With sodium hydrogencarbonate; sodium hydrogensulfite In water; acetic acid; ethyl acetate; toluene	60%

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 3736-92-3
4-[2-(phenylthio)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

Conditions

Conditions	Yield
With Lawessons reagent In benzene at 20℃; for 0.5h;	95%

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 141293-07-4
1,2-diphenyl-4-fluoro-4-<(2-phenylsulfinyl)ethyl>pyrazolidine-3,5-dione

Conditions

Conditions	Yield
With N-fluorobis<(trifluoromethyl)sulfonyl>imide In chloroform Ambient temperature;	90%

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 74-88-4
methyl iodide

: 86636-32-0
4-(2-phenylthienylethyl)-4-methyl-1,2-diphenyl-3,5-pyrazolidinedione

Conditions

Conditions	Yield
With triethylamine In benzene for 0.7h; Ambient temperature;	70%

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 3,5-Dioxo-1,2-diphenyl-4-(2-phenylsulfinylethyl)pyrazolidin-4-ylnitrat

Conditions

Conditions	Yield
With sodium nitrite In acetic acid for 16h; Ambient temperature;	10%

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

A: 94344-86-2
Ethyltartronic dianilide

B: 94344-85-1
2-(Phenylthio)ethyltartronic dianilide

C: 94344-87-3
2-(Phenylsulfinyl)ethyltartronic dianilide

D: 1227476-15-4
Azobenzene

Conditions

Conditions	Yield
In methanol for 18h; Product distribution; Mechanism; Irradiation; other solvent;	A 4% B 3% C 1% D n/a

...Expand

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 86636-31-9
4-(2-phenylthioethyl)-4-methyl-1,2-diphenyl-3,5-pyrazolidinedione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / 2,4-bi-(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide ( LR ) / benzene / 0.5 h / 20 °C 2: 74 percent / Et3N / CH2Cl2 / 0.5 h / Ambient temperature View Scheme

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 86636-23-9
3,3'-dithiobis (4-(2-phenylthio)ethyl-1,2-diphenyl-3-pyrazoline-5-thione)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / 2,4-bi-(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide ( LR ) / benzene / 0.5 h / 20 °C 2: 74 percent / 2,4-bi-(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide ( LR ) / toluene / 0.5 h / Heating View Scheme

: 50-00-0
formaldehyd

: 57-96-5
4-[2-(phenylsulfinyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

: 1,2-diphenyl-4-[2-(phenylsulfinyl)-ethyl]-4-hydroxymethyl-pyrazolidine-3,5-dione

Conditions

Conditions	Yield
In methanol

Raw Materials

7722-86-3

3736-92-3

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Chemistry

IUPAC Name: 4-[2-(Benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
The MF of (+/-)-Sulfinpyrazone (CAS NO.57-96-5) is C₂₃H₂₀N₂O₃S.

Specification

The Sulfinpyrazone, also known as 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione, is a uricosuric medication with the formula C₂₃H₂₀N₂O₃S. Its EINECS registry number is 200-357-4. With the CAS registry number 57-96-5, its IUPAC name is 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione. This chemical's classification codes are Antirheumatic Agents; Drug / Therapeutic Agent; Gout Suppressants Human Data; Mutation Data; Renal Agents; Uricosuric; Uricosuric Agents.

Physical properties of Sulfinpyrazone: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 1.97; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 15.47; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 199.34; (7)ACD/KOC (pH 7.4): 5.97; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.716; (11)Molar Refractivity: 114.13 cm³; (12)Molar Volume: 290 cm³; (13)Surface Tension: 75.9 dyne/cm; (14)Density: 1.39 g/cm³; (15)Flash Point: 311.1 °C; (16)Enthalpy of Vaporization: 88.14 kJ/mol; (17)Boiling Point: 590.8 °C at 760 mmHg; (18)Vapour Pressure: 6.2E-14 mmHg at 25°C.

Preparation: this chemical can be prepared as the following reaction equation:

Sulfinpyrazone can be prepared as the following reaction equation

Uses of Sulfinpyrazone: it can be used to used to treat gout. It also sometimes is used to reduce platelet aggregation by inhibiting degranulation of platelets which reduces the release of ADP and thromboxane. This chemical must not be used in persons with renal impairment or a high rate of excretion of uric acid (hyperuricosuria).

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4
(2)InChI: InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
(3)InChIKey: MBGGBVCUIVRRBF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	oral	29mg/kg (29mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	New England Journal of Medicine. Vol. 303, Pg. 702, 1980.
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)		National Technical Information Service. Vol. AD414-344,
mouse	LD50	intravenous	240mg/kg (240mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: EXCITEMENT	Annals of the New York Academy of Sciences. Vol. 86, Pg. 263, 1960.
mouse	LD50	oral	298mg/kg (298mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: EXCITEMENT	Annals of the New York Academy of Sciences. Vol. 86, Pg. 263, 1960.
rabbit	LD50	intravenous	195mg/kg (195mg/kg)		Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 391, 1965.
rat	LD50	intravenous	154mg/kg (154mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Annals of the New York Academy of Sciences. Vol. 86, Pg. 263, 1960.
rat	LD50	oral	358mg/kg (358mg/kg)		Drugs in Japan Vol. 6, Pg. 393, 1982.