2-Hydroxy-1,4-dimethyl-6-oxo-5-{(E)-[3-(phenylsulfonyl)phenyl]diazenyl}-1,6-dihydro-3-pyridinecarbonitrile | CAS No. 61968-66-9

2-Hydroxy-1,4-dimethyl-6-oxo-5-{(E)-[3-(phenylsulfonyl)phenyl]diazenyl}-1,6-dihydro-3-pyridinecarbonitrile

Basic Information

CAS Number

61968-66-9

Molecular Formula

C20H16N4O4S

Molecular Weight

397.46 g/mol

AD

Basic Physical Properties

Density

1.36

CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16N4O4S/c1-13-17(12-21)19(25)24(2)20(26)18(13)23-22-14-7-6-10-16(11-14)29(27,28)15-8-4-3-5-9-15/h3-11,25H,1-2H3/b23-22+

InChIKey

ZRHDHYFKPNAIKY-GHVJWSGMSA-N

LogP

3.9559400000000027

Topological Polar Surface Area

101.09 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

914

Synonyms & References

English

  • 3-Pyridinecarbonitrile, 1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-5-[2-[3-(phenylsulfonyl)phenyl]diazenyl]-
  • DTXSID901111295
  • 61968-66-9
  • 1,6-Dihydro-2-hydroxy-1,4-dimethyl-6-oxo-5-[2-[3-(phenylsulfonyl)phenyl]diazenyl]-3-pyridinecarbonitrile
  • 5-[[3-(benzenesulfonyl)phenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
  • Disperse Yellow 114
  • Kiwalon Polyester Yellow 6GF
  • Samaron Yellow 6GSL
  • Serene Disperse Yellow 114
  • Terasil Yellow W 6GS

FAQ

What are the physical and chemical properties of 2-Hydroxy-1,4-dimethyl-6-oxo-5-{(E)-[3-(phenylsulfonyl)phenyl]diazenyl}-1,6-dihydro-3-pyridinecarbonitrile (CAS: 61968-66-9)?

This compound has a crystalline form suitable for solid-state applications. Its molecular weight is approximately 544.6 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. It exhibits high reactivity due to the presence of a diazenyl and sulfonyl group, making it suitable for various chemical reactions. It has low vapor pressure and is stable under normal conditions but should be handled with care to avoid decomposition.

How is 2-Hydroxy-1,4-dimethyl-6-oxo-5-{(E)-[3-(phenylsulfonyl)phenyl]diazenyl}-1,6-dihydro-3-pyridinecarbonitrile (CAS: 61968-66-9) typically synthesized?

This compound is commonly synthesized through a multi-step process involving diazocarbonylation and subsequent functional group modifications. Catalysts like copper salts and ligands are used to improve yield and selectivity. The reaction is typically performed under an inert atmosphere to prevent oxidation. The overall yield is around 70-80%, and the reaction conditions include a mixture of organic solvents and controlled temperature to ensure product formation.

What industries use 2-Hydroxy-1,4-dimethyl-6-oxo-5-{(E)-[3-(phenylsulfonyl)phenyl]diazenyl}-1,6-dihydro-3-pyridinecarbonitrile (CAS: 61968-66-9)?

This compound is primarily used in the pharmaceutical industry for the synthesis of complex molecules and in sensor technology for detecting specific analytes. It also finds applications in the production of polymers and semiconductors due to its unique chemical structure and reactivity. Its ability to form stable complexes with metal ions makes it valuable in catalytic processes and as a ligand in coordination chemistry.

What precautions should be taken when handling 2-Hydroxy-1,4-dimethyl-6-oxo-5-{(E)-[3-(phenylsulfonyl)phenyl]diazenyl}-1,6-dihydro-3-pyridinecarbonitrile (CAS: 61968-66-9)?

Handling this compound requires strict safety measures. Eye and skin protection, such as gloves and goggles, must be worn. It should be handled in a fume hood to prevent inhalation and exposure. Spills should be cleaned up carefully using appropriate absorbents and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions. Due to its reactivity, it should be stored away from oxidizing agents and kept in a cool, dry place to minimize degradation.

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