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4,6-Dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine

  • CAS No. 1037479-62-1

  • Cat. No. CS-0110839
  • Purity≥98%
  • MDL No.MFCD26394969

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

4,6-Dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine|CS-0110839

Structure of 1037479-62-1

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General Information

  • CAS No. 1037479-62-1
  • Cat. No. CS-0110839
  • Purity ≥98%
  • MDL No. MFCD26394969
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀Cl₂N₄O
  • Molecular Weight 273.12
  • Synonym(s) None
  • SMILES ClC1=NC(Cl)=C2C(N(C3CCCCO3)N=C2)=N1

Description

4,6-Dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine features a rigid heterocyclic core with two chlorine substituents enabling selective coupling reactions. The tetrahydropyran-2-yl protecting group confers enhanced stability and solubility in organic media. This compound serves as a key intermediate for synthesizing advanced kinase inhibitors and nucleoside analogs under standard conditions.

Application

4,6-Dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine serves as a versatile building block for the synthesis of pyrazolopyrimidine-based scaffolds. The dichloro substitution enables sequential cross-coupling reactions, while the tetrahydropyranyl group provides orthogonal protection and enhanced solubility. This compound exhibits bench stability and facilitates efficient purification, making it well-suited for medicinal chemistry campaigns and API intermediate development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.83
  • LogP   2.8322
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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