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tert-Butyl 3-bromo-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylate

  • CAS No. 723286-80-4

  • Cat. No. CS-B1005
  • Purity≥95%
  • MDL No.MFCD08448169

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 3-bromo-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylate|CS-B1005

Structure of 723286-80-4

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General Information

  • CAS No. 723286-80-4
  • Cat. No. CS-B1005
  • Purity ≥95%
  • MDL No. MFCD08448169
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅BrN₄O₂
  • Molecular Weight 303.16
  • Synonym(s) tert-butyl 3-Bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
  • SMILES O=C(N1CC2=NN=C(Br)N2CC1)OC(C)(C)C

Description

tert-Butyl 3-bromo-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylate is a bench-stable heterocyclic building block featuring a brominated triazolopyrazine core. This moiety integrates readily into C–C and C–heteroatom coupling reactions, enabling efficient access to complex nitrogen-rich scaffolds in medicinal chemistry and materials synthesis.

Application

tert-Butyl 3-bromo-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylate serves as a versatile building block for the synthesis of triazolopyrazine-based heterocycles. The bromo group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester offers stability and convenient deprotection under mild acidic conditions. This compound functions effectively in constructing complex scaffolds relevant to medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   60.25
  • LogP   1.7913
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   0

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