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tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate

  • CAS No. 916420-27-4

  • Cat. No. CS-D0028
  • Purity≥95%
  • MDL No.MFCD09025732

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

tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate|CS-D0028

Structure of 916420-27-4

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General Information

  • CAS No. 916420-27-4
  • Cat. No. CS-D0028
  • Purity ≥95%
  • MDL No. MFCD09025732
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅Cl₂N₃O₂
  • Molecular Weight None
  • Synonym(s) tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
  • SMILES ClC1=NC2=C(C(Cl)=N1)CCN(C(OC(C)(C)C)=O)C2

Description

tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate features a sterically shielded tert-butyl ester and two chloro substituents at electron-deficient positions, enabling selective functionalization in heterocyclic synthesis. This bench-stable intermediate facilitates access to advanced pyridopyrimidine scaffolds under standard conditions.

Application

tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate serves as a versatile building block for the synthesis of substituted pyrido[3,4-d]pyrimidine scaffolds. The dichloro functionality enables sequential nucleophilic substitution reactions, while the tert-butyl ester group offers stability and convenient deprotection under mild acidic conditions. This compound facilitates access to biologically relevant heterocycles through well-established coupling protocols and is compatible with a range of functional groups commonly encountered in medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • WO2014/15291 A1, ;
  • Route2

    References

    • WO2014/15291 A1, ;
  • Route3

    References

    • WO2014/15291 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Computational Chemistry Data

  • TPSA   55.32
  • LogP   3.0766
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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