3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide

Basic Information

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CAS Number

386273-25-2

Molecular Formula

C16H14N2O3S

Molecular Weight

314.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Basic Physical Properties

SMILES

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CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C16H14N2O3S/c1-11-15(13-8-5-9-14(10-13)22(17,19)20)16(18-21-11)12-6-3-2-4-7-12/h2-10H,1H3,(H2,17,19,20)

InChIKey

QHTHRXSCXPHAHP-UHFFFAOYSA-N

LogP

2.9644200000000005

Topological Polar Surface Area

86.19 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

470

Synonyms & References

English

3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfomide
3-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide
SCHEMBL6832160
3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide (Palbociclib Impurity)
F19315
386273-25-2
DTXSID00741522
3-?(5-?Methyl-?3-?phenylisoxazol-?4-?yl)?benzenesulfonamide
3-(5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)BENZENESULFONAMIDE
CS-0255349
3-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide

MDL Number

MFCD26743608

FAQ

What are the physical and chemical properties of 3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide (CAS: 386273-25-2)?

3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide is a solid crystalline compound with a molecular weight of approximately 342.31 g/mol. It has a low solubility in water and is moderately soluble in organic solvents such as ethanol and acetone. The compound is known for its stability and reactivity towards nucleophiles, making it useful in various synthetic applications.

How is 3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide (CAS: 386273-25-2) typically synthesized?

3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide is typically synthesized via a multi-step process involving condensation reactions and sulfonation. Commonly, it is prepared from 4-chlorobenzenesulfonamide and 5-methyl-3-phenylisoxazole through an aromatic coupling reaction. The synthesis involves the use of a Lewis acid catalyst and requires precise control of temperature and reagent equivalents to ensure high selectivity and yield.

What industries use 3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide (CAS: 386273-25-2)?

3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also finds applications in the polymer industry as a stabilizer and in semiconductor manufacturing for its electronic properties. Additionally, it can be used in sensor technology for its reactivity and stability.

What precautions should be taken when handling 3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide (CAS: 386273-25-2)?

When handling 3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use appropriate equipment to contain and clean up the material, and ensure proper disposal according to safety data sheet (SDS) guidelines. Always work in a well-ventilated area or fume hood to minimize exposure.