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CS-W001157 4
Total: USD 88.00

4-(tert-Butyl)-2-chloropyrimidine

  • CAS No. 66522-06-3

  • Cat. No. CS-0154883
  • Molecule weight170.64
  • Purity≥98%
  • MDL No.MFCD12402334

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

4-(tert-Butyl)-2-chloropyrimidine|CS-0154883

Structure of 66522-06-3

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General Information

  • CAS No. 66522-06-3
  • Cat. No. CS-0154883
  • Purity ≥98%
  • MDL No. MFCD12402334
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁ClN₂
  • Molecular Weight 170.64
  • Synonym(s) 4-Tert-butyl-2-chloropyrimidine
  • SMILES CC(C)(C)C1=NC(=NC=C1)Cl

Description

4-(tert-Butyl)-2-chloropyrimidine features a sterically hindered tert-butyl group at the 4-position, enhancing stability and solubility in organic media. The electron-deficient pyrimidine core facilitates nucleophilic substitution reactions, enabling efficient coupling with amines, thiols, and other heteroatoms under mild conditions. This reactivity profile supports its use in pharmaceutical intermediates and functional material synthesis.

Application

4-(tert-Butyl)-2-chloropyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. The chloropyrimidine moiety reacts reliably with boronic acids, amines, and thiols under standard conditions, while the tert-butyl group enhances solubility and provides steric protection during synthesis. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for constructing complex heterocyclic scaffolds in API 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.4275
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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