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7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione

  • CAS No. 62459-02-3

  • Cat. No. CS-M2094
  • Purity≥97%
  • MDL No.MFCD09839775

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

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione|CS-M2094

Structure of 62459-02-3

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General Information

  • CAS No. 62459-02-3
  • Cat. No. CS-M2094
  • Purity ≥97%
  • MDL No. MFCD09839775
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅N₃O₂
  • Molecular Weight 257.29
  • Synonym(s) pyrido[3,4-d]pyriMidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-7-(phenylMethyl)-
  • SMILES O=C(N1)NC(C2=C1CN(CC3=CC=CC=C3)CC2)=O

Description

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione features a fused heterocyclic core with a benzyl group at the 7-position, conferring enhanced lipophilicity and metabolic stability. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds, offering favorable solubility and handling characteristics under standard bench conditions.

Application

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione serves as a versatile heterocyclic building block for medicinal chemistry campaigns, enabling efficient access to pyrido[3,4-d]pyrimidine-based scaffolds. Its benzyl-substituted core exhibits enhanced stability and solubility, facilitating downstream functionalization via standard amine coupling, reduction, or electrophilic substitution protocols. The diketone motif supports reliable enolization and condensation reactions, making it valuable in modular synthesis of bioactive compounds.

Synthesis

  • Route1

    References

    • ZHOU, Han-Jie; PARLATI, Francesco; WUSTROW, David Patent: WO2014/15291 A1, 2014 ; Location in patent: Page/Page column 174; 175 ;
  • Route2

    References

    • KYOWA HAKKO KOGYO CO., LTD. Patent: EP1552842 A1, 2005 ; Location in patent: Page/Page column 302 ;

Safety Information

Download SDS
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   68.96
  • LogP   0.6215
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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