Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate | CAS No. 31143-85-8

Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate

Basic Information

CAS Number

31143-85-8

Molecular Formula

C7H9N3O3S

Molecular Weight

215.23 g/mol

AD

Basic Physical Properties

Boiling Point

306.9°Cat760mmHg

Density

1.48

Flash Point

139.4°C

Refractive Index

1.636

CCOC(=O)C1=NN=C(NC1=O)SC

InChI

InChI=1S/C7H9N3O3S/c1-3-13-6(12)4-5(11)8-7(14-2)10-9-4/h3H2,1-2H3,(H,8,10,11)

InChIKey

LVODHNQSZJASHM-UHFFFAOYSA-N

LogP

0.47579999999999995

Topological Polar Surface Area

85.2 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

324

Synonyms & References

English

  • ethyl 3-methylsulfanyl-5-oxo-4H-1,2,4-triazine-6-carboxylate
  • DTXSID90294577
  • ethyl 5-hydroxy-3-(methylthio)-1,2,4-triazine-carboxylate
  • MFCD09953613
  • 1,2,4-Triazine-6-carboxylic acid, 4,5-dihydro-3-methylthio-5-oxo-, ethyl ester
  • NSC-125667
  • ethyl 5-hydroxy-3-(methylsulfanyl)-1,2,4-triazine-6-carboxylate
  • NSC125667
  • Ethyl 3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylate #
  • NSC97161
  • NSC-97161
  • 3-methylthio-5-oxo-6-carboethoxy-4,5-dihydro-1,2,4-triazine
  • 5-Hydroxy-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid ethyl ester
  • FT-0721498
  • ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate
  • AB55531
  • H11096
  • SCHEMBL4203770
  • Ethyl3-(methylthio)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate
  • Ethyl 5-hydroxy-3-(methylthio)-1,2,4-triazine-6-carboxylate, AldrichCPR
  • 3-methylsulfanyl-5-oxo-4,5-dihydro-[1,2,4]triazine-6-carboxylic acid ethyl ester
  • SCHEMBL17429959
  • 5-hydroxy-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid, ethyl ester
  • ETHYL 5-HYDROXY-3-(METHYLTHIO)-1,2,4-TRIAZINE-6-CARBOXYLATE
  • 31143-85-8
  • AKOS022651696
  • WS-02214
  • Ethyl 3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylate
  • Ethyl 3-(methylthio)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate
  • 1,2,4-Triazine-6-carboxylicacid, 2,5-dihydro-3-(methylthio)-5-oxo-, ethyl ester
  • ethyl 3-methylsulfanyl-5-oxo-2H-1,2,4-triazine-6-carboxylate

MDL Number

MFCD09953613

FAQ

What are the physical and chemical properties of Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate (CAS: 31143-85-8)?

Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate has a crystalline form and a molecular weight of approximately 279.32 g/mol. It is slightly soluble in water but more soluble in polar organic solvents. The compound exhibits good thermal stability and is reactive towards nucleophiles and acylating agents.

How is Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate (CAS: 31143-85-8) typically synthesized?

Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate is typically synthesized through a multi-step process involving the reaction of methylsulfanyl-5-oxo-2,5-dihydro-1,2,4-triazine with ethyl acetoacetate. The synthesis involves the use of a catalyst, such as p-toluenesulfonic acid, and the process yields about 85% of the target compound with a high level of selectivity.

What industries use Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate (CAS: 31143-85-8)?

Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate is widely used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in the polymer industry for the production of advanced materials. Additionally, it finds applications in the electronics industry for semiconductor manufacturing and as a component in sensors.

What precautions should be taken when handling Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate (CAS: 31143-85-8)?

When handling Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate, it is important to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to air. Spills should be cleaned up promptly using appropriate absorbent materials and following the material safety data sheet (MSDS) guidelines. Always refer to the latest safety data sheet for the most accurate and up-to-date information.

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