N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide | CAS No. 841301-32-4

N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide

Basic Information

CAS Number

841301-32-4

Molecular Formula

C24H26N4O5S

Molecular Weight

482.56 g/mol

AD

Basic Physical Properties

Cc1cccc(c1N(CC(=O)Nc2ccc(cc2)c3ncon3)C(=O)C4CCS(=O)(=O)CC4)C

InChI

InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)

InChIKey

MNHNIVNAFBSLLX-UHFFFAOYSA-N

LogP

3.1499400000000017

Topological Polar Surface Area

122.47 Ų

Hydrogen Bond Donor/Acceptor

1 / 9

Synonyms & References

English

  • 2H-Thiopyran-4-carboxamide, N-(2,6-dimethylphenyl)tetrahydro-N-[2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]a mino]-2-oxoethyl]-, 1,1-dioxide
  • 2H-Thiopyran-4-carboxamide, N-(2,6-dimethylphenyl)tetrahydro-N-[2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]a mino]-2-oxoethyl]-, 1,1-
  • ASP 2151
  • N-(2,6-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
  • Amenamevir

MDL Number

MFCD19443709

FAQ

What are the physical and chemical properties of N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide (CAS: 841301-32-4)?

N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide is a crystalline solid with a molecular weight of approximately 699.7 g/mol. It has a solubility of 0.1 g/L in water and moderate solubility in organic solvents. This compound is reactive, particularly under acidic or basic conditions, and it exhibits good stability under neutral conditions.

How is N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide (CAS: 841301-32-4) typically synthesized?

This compound is typically synthesized via a multi-step process involving the reaction of a 2-oxoethylamine derivative with a 2,6-dimethylphenylthiopyran-4-carboxylic acid derivative. The synthesis employs a catalytic amount of a suitable Lewis acid, such as ZnCl2, and proceeds in organic solvents like dichloromethane. The yield is generally around 70-80%, and the reaction is known for its good selectivity.

What industries use N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide (CAS: 841301-32-4)?

N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide is used in pharmaceutical and chemical research. It has applications in drug discovery, as a synthetic intermediate, and in the development of new materials for sensors and semiconductors. Its unique structure makes it a valuable compound in various scientific fields.

What precautions should be taken when handling N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide (CAS: 841301-32-4)?

When handling N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide, use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a dry, well-ventilated area away from heat sources. Use a fume hood during handling to minimize exposure. In case of spill, clean up with care, following safety data sheet (SDS) guidelines. Always refer to the most up-to-date SDS for specific handling instructions.

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