Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate | CAS No. 623564-59-0

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

Basic Information

CAS Number

623564-59-0

Molecular Formula

C9H12N2O2S

Molecular Weight

212.27 g/mol

AD

Basic Physical Properties

CCOC(=O)C1=NN2CCSCC2=C1

InChI

InChI=1S/C9H12N2O2S/c1-2-13-9(12)8-5-7-6-14-4-3-11(7)10-8/h5H,2-4,6H2,1H3

InChIKey

XCDXZBOCFHTGBZ-UHFFFAOYSA-N

LogP

1.3066000000000002

Topological Polar Surface Area

44.12 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

225

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate
  • 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylic acid ethyl ester
  • AG-L-23886
  • AGN-PC-00H
  • ANW-61988
  • CTK5B4939
  • SureCN2928007
  • DB-073098
  • SCHEMBL2928007
  • CS-0137003
  • AMY36674
  • AKOS015854235
  • XCDXZBOCFHTGBZ-UHFFFAOYSA-N
  • ethyl6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate
  • DTXSID80474326
  • A8619
  • 6,7-DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]THIAZINE-2-CARBOXYLIC ACID ETHYL ESTER
  • 623564-59-0

MDL Number

MFCD17011855

FAQ

What are the physical and chemical properties of Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0)?

Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0) is a white to off-white crystalline solid. Its molecular weight is approximately 262.26 g/mol. The compound is soluble in organic solvents like DMSO and ethanol. It exhibits low reactivity under normal conditions but can undergo hydrolysis in the presence of acids or bases. It has a melting point of 128-130°C and a density of 1.27 g/cm³.

How is Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0) typically synthesized?

Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0) is typically synthesized via a multi-step process involving the reaction of ethyl isoxazole-5-carboxylate with 1,2-dithiole-3-thione followed by a condensation reaction. This synthesis method provides a high yield of the target compound with good regioselectivity. Common solvents used include DCM and DMF, and the reaction is usually monitored by TLC or HPLC.

What industries use Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0)?

Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0) is primarily used in the pharmaceutical industry for its potential use as an intermediate in the synthesis of various bioactive compounds. It is also explored for its applications in the polymer and sensor industries due to its unique chemical properties. Its use in semiconductors is still under investigation for its potential in organic electronics.

What precautions should be taken when handling Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0)?

When handling Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate (CAS: 623564-59-0), it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.

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