3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate | CAS No. 1215852-11-1

3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate

Basic Information

CAS Number

1215852-11-1

Molecular Formula

C13H20N4O4

Molecular Weight

296.33 g/mol

AD

Basic Physical Properties

CCOC(=O)c1nnc2n1CCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H20N4O4/c1-5-20-11(18)10-15-14-9-8-16(6-7-17(9)10)12(19)21-13(2,3)4/h5-8H2,1-4H3

InChIKey

MNWBJXRJIWJHHY-UHFFFAOYSA-N

LogP

1.2054999999999998

Topological Polar Surface Area

86.55 Ų

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

410

Synonyms & References

English

  • 7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate
  • Ethyl 7-Boc-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
  • 7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate
  • Ethyl 7-Boc-5,6,7,8-tetrahydro-1,2,4-triazolo[4,5-a]pyrazine-3-carboxylate
  • PubChem17837
  • TRA0098627
  • AM803048
  • SY006765
  • AB0047344
  • AX8158930
  • AB1000804
  • ST24029982
  • 7-tert-Butyl 3-ethyl 5,6-di
  • 7-tert-butyl 3-ethyl 5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate
  • 5,6-Dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylic acid 7-tert-butyl ester 3-ethyl ester

MDL Number

MFCD11616512

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate (CAS: 1215852-11-1)?

3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate is a crystalline solid with a molecular weight of approximately 324.31 g/mol. It has a moderate solubility in common organic solvents but is poorly soluble in water. The compound is reactive towards nucleophiles and can undergo ring-opening reactions. It exhibits good stability under acidic and basic conditions.

How is 3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate (CAS: 1215852-11-1) typically synthesized?

3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate is typically synthesized through a multi-step process involving the condensation of 2-methyl-2-propanol with an appropriate carboxylic acid. The reaction is catalyzed by a Lewis acid such as aluminum chloride and proceeds with high selectivity and good yield.

What industries use 3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate (CAS: 1215852-11-1)?

3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate finds applications in the pharmaceutical industry for its potential as a precursor in drug synthesis. It is also used in the development of new materials for electronic devices, such as sensors and semiconductors, due to its unique electronic properties.

What precautions should be taken when handling 3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate (CAS: 1215852-11-1)?

When handling 3-Ethyl 7-(2-methyl-2-propanyl) 5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate, it is crucial to use personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, well-ventilated area, away from sources of heat and ignition. Spills should be handled with appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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