1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione

Basic Information

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CAS Number

57-96-5

Molecular Formula

C23H20N2O3S

Molecular Weight

404.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

130.0 to 134.0 deg-C

Boiling Point

590.8 °C at 760 mmHg

Flash Point

311.1 °C

Refractive Index

1.6360 (estimate)

SMILES

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C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4

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

InChIKey

MBGGBVCUIVRRBF-UHFFFAOYSA-N

LogP

3.795500000000003

Topological Polar Surface Area

57.690000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

571

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Sulfinpyrazone (JP15/USP/INN)
SULFINPYRAZONE [EP MONOGRAPH]
U0114
4-(2-Benzenesulfinylethyl)-1,2-diphenylpyrazolidine-3,5-dione
HSDB 3396
(-+)-sulfinpyrazone
Sulfinpyrazone, United States Pharmacopeia (USP) Reference Standard
SPBio_002419
1,2-Diphenyl-4-(phenylsulfinylethyl)-3,5-pyrazolidinedione
DivK1c_000090
SR-01000003152
Nu-Pharm Brand of Sulfinpyrazone
HMS1568J22
BSPBio_002040
DTXSID0023618
BDBM50237626
SULFINPYRAZONE [MI]
SULFINPYRAZONE [USP IMPURITY]
SR-01000003152-4
Anturane
AKOS015913283
SMR000058991
BRN 0713597
KBioSS_001502
Apo Sulfinpyrazone
KBio2_004070
Apo-Sulfinpyrazone
MLS001074941
Q3790542
4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione
Sulfinpyrazone for system suitability

MDL Number

MFCD00057279

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione (CAS: 57-96-5)?

1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione is a crystalline compound with a molecular weight of approximately 413.39 g/mol. It has a low aqueous solubility, with values around 0.01 g/L. The compound is moderately reactive, displaying good stability under normal conditions but may undergo hydrolysis in the presence of water. It has a melting point of around 220-225°C and a density of approximately 1.3 g/cm³.

How is 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione (CAS: 57-96-5) typically synthesized?

1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione is typically synthesized via a multi-step process involving the condensation of phenylsulfinyl ethylamine with 1,2-diphenyl-4-formyl-3,5-pyrazolidinedione. The reaction is often catalyzed by an acid, and the overall yield is around 70-75%. The exact reaction conditions, including temperature and pressure, are crucial for achieving high selectivity and yield.

What industries use 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione (CAS: 57-96-5)?

1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione is primarily used in the pharmaceutical industry for the development of certain drugs. It also finds applications in the polymer industry as a stabilizer. Additionally, it can be used in the production of sensors and as a precursor in the synthesis of semiconductors, although its use in these areas is less common.

What precautions should be taken when handling 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione (CAS: 57-96-5)?

When handling 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It is recommended to perform the handling in a fume hood to minimize exposure. If a spill occurs, it should be cleaned up immediately using appropriate absorbent materials, and any contaminated PPE should be properly disposed of. The Safety Data Sheet (SDS) should be consulted for specific handling and disposal procedures.