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

  • CAS No. 1370411-44-1

  • Cat. No. CS-0077284
  • Molecule weight338.19
  • Purity≥98%
  • MDL No.MFCD19707615

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

Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate|CS-0077284

Structure of 1370411-44-1

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General Information

  • CAS No. 1370411-44-1
  • Cat. No. CS-0077284
  • Purity ≥98%
  • MDL No. MFCD19707615
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃Cl₂N₃O₂
  • Molecular Weight 338.19
  • Synonym(s) Benzyl 2,4-dichloro-5,6-dihydropyrido-[3,4-d]pyrimidine-7(8H)-carboxylate
  • SMILES ClC1=NC(Cl)=NC2=C1CCN(C(OCC3=CC=CC=C3)=O)C2

Description

Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate features a fused heterocyclic core with dual chloro substituents enhancing electrophilic reactivity. The benzyl ester moiety enables straightforward deprotection under standard conditions. This compound serves as a key intermediate in the synthesis of bioactive pyrido[3,4-d]pyrimidine derivatives.

Application

Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate serves as a versatile building block for the synthesis of pyrido[3,4-d]pyrimidine-based scaffolds. The dichloro substitution enables sequential nucleophilic displacement reactions, while the benzyl ester group offers convenient deprotection under mild conditions. This compound demonstrates excellent bench stability and functional group tolerance, facilitating efficient access to complex heterocyclic systems relevant to medicinal chemistry research.

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   55.32
  • LogP   3.4783
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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