6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde | CAS No. 623564-62-5

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

Basic Information

CAS Number

623564-62-5

Molecular Formula

C7H8N2OS

Molecular Weight

168.22 g/mol

AD

Basic Physical Properties

C1CSCC2=CC(=NN21)C=O

InChI

InChI=1S/C7H8N2OS/c10-4-6-3-7-5-11-2-1-9(7)8-6/h3-4H,1-2,5H2

InChIKey

OKHWXBHLURLUPN-UHFFFAOYSA-N

LogP

0.9424

Topological Polar Surface Area

34.89 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

165

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
  • 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxaldehyde
  • AG-L-23888
  • AGN-PC-00HDQO
  • AK102594
  • ANW-61987
  • CTK5B4941
  • QC-9788
  • SCHEMBL2929116
  • AKOS015854236
  • DB-073100
  • DTXSID50474378
  • BS-49638
  • 4H,6H,7H-PYRAZOLO[3,2-C][1,4]THIAZINE-2-CARBALDEHYDE
  • 623564-62-5
  • A8621
  • F74901
  • OKHWXBHLURLUPN-UHFFFAOYSA-N
  • 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde

MDL Number

MFCD17011859

FAQ

What are the physical and chemical properties of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde (CAS: 623564-62-5)?

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde (CAS: 623564-62-5) has a crystalline form at room temperature. Its molecular weight is approximately 214.22 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can participate in various organic reactions. It is a versatile compound used in organic synthesis due to its reactivity and structural complexity.

How is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde (CAS: 623564-62-5) typically synthesized?

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde is synthesized via various methods. Commonly, it is prepared by the condensation of 4,5-diaminopyrazole with thiosemicarbazide, followed by alkylation to introduce the carbonyl group. This method ensures high yield and selectivity, making it a reliable route for laboratory and industrial production. Catalysts such as sodium carbonate are often used to facilitate the reaction.

What industries use 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde (CAS: 623564-62-5)?

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde (CAS: 623564-62-5) finds applications in pharmaceuticals, where it serves as a precursor for drug development. It is also utilized in the production of sensors and semiconductors due to its unique chemical properties. Additionally, this compound is relevant in the synthesis of polymers and other materials, making it a valuable intermediate in multiple industries.

What precautions should be taken when handling 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde (CAS: 623564-62-5)?

When handling 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde (CAS: 623564-62-5), it is essential to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up promptly using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal procedures. This compound is reactive and may cause skin irritation or other health issues if mishandled.

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