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CS-W001157 4
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Methyl 4-bromopyrimidine-2-carboxylate

  • CAS No. 1206250-40-9

  • Cat. No. CS-0181076
  • Purity≥98%
  • MDL No.MFCD14582099

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

Methyl 4-bromopyrimidine-2-carboxylate|CS-0181076

Structure of 1206250-40-9

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General Information

  • CAS No. 1206250-40-9
  • Cat. No. CS-0181076
  • Purity ≥98%
  • MDL No. MFCD14582099
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrN₂O₂
  • Molecular Weight 217.02
  • Synonym(s) 2-Pyrimidinecarboxylic acid, 4-bromo-, methyl ester
  • SMILES O=C(C1=NC=CC(Br)=N1)OC

Description

Methyl 4-bromopyrimidine-2-carboxylate features a bromine atom at the 4-position of a pyrimidine core, enabling selective functionalization in cross-coupling reactions. The ester group provides enhanced solubility and reactivity under standard conditions, while the electron-deficient heterocycle facilitates nucleophilic substitution. This compound serves as a key intermediate in synthesizing bioactive pyrimidine derivatives and pharmaceutical scaffolds.

Application

Methyl 4-bromopyrimidine-2-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. The bromine at the 4-position facilitates palladium-catalyzed cross-coupling reactions, while the ester group supports selective transformations and derivatization. Its bench-stable nature and compatibility with diverse functional groups make it ideal for iterative synthesis workflows targeting heterocyclic APIs and kinase inhibitors.

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS05
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   1.0257
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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