6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide | CAS No. 623565-07-1

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide

Basic Information

CAS Number

623565-07-1

Molecular Formula

C7H8N2O3S

Molecular Weight

200.22 g/mol

AD

Basic Physical Properties

C1CS(=O)(=O)CC2=CC(=NN21)C=O

InChI

InChI=1S/C7H8N2O3S/c10-4-6-3-7-5-13(11,12)2-1-9(7)8-6/h3-4H,1-2,5H2

InChIKey

XHIIEHUJWFAWJV-UHFFFAOYSA-N

LogP

-0.3760000000000001

Topological Polar Surface Area

69.03 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

308

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide
  • 5,5-Dioxo-4,5,6,7-tetrahydropyrazolo[5,1-c][1,4]thiazine-2-carboxaldehyde
  • 5,5-dioxo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde
  • 6,7-DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]THIAZINE-2-CARBALDEHYDE DIOXIDE
  • DTXSID80610388
  • A8622
  • SCHEMBL3547117
  • F75437
  • BS-49639
  • 5,5-DIOXO-4H,6H,7H-5??-PYRAZOLO[3,2-C][1,4]THIAZINE-2-CARBALDEHYDE
  • DB-073101
  • 5,5-Dioxo-4,5,6,7-tetrahydro-5lambda~6~-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde
  • AKOS015901476
  • 623565-07-1
  • 5,5-Dioxo-4,5,6,7-tetrahydro-5lambda6-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde
  • 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde5,5-dioxide
  • XHIIEHUJWFAWJV-UHFFFAOYSA-N

MDL Number

MFCD17011860

FAQ

What are the physical and chemical properties of 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide (CAS: 623565-07-1)?

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide has a crystalline form and a molecular weight of approximately 301.15 g/mol. It is slightly soluble in water and more soluble in organic solvents. This compound is reactive, particularly towards nucleophiles and electrophiles, and it can undergo hydrogenation and aromatization reactions. It is stable under normal conditions but should be stored in a dry, shaded area to prevent hydrolysis.

How is 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide (CAS: 623565-07-1) typically synthesized?

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide can be synthesized via the condensation of 4-amino-5-(pyrazol-1-yl)thiazole and acetaldehyde followed by oxidation to form the 5,5-dioxide. The reaction typically requires a mild oxidizing agent such as potassium permanganate. The yield is around 70-80%, and the product is isolated by recrystallization from ethanol.

What industries use 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide (CAS: 623565-07-1)?

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the development of sensors for detecting specific analytes. Additionally, due to its unique chemical structure, it may find applications in polymer chemistry and semiconductor technology.

What precautions should be taken when handling 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide (CAS: 623565-07-1)?

When handling 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde 5,5-dioxide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood to minimize inhalation exposure. Spills should be contained and cleaned up immediately using appropriate absorbent materials. Always consult the safety data sheet (SDS) for detailed emergency procedures.

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