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CS-W001157 4
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Ethyl 2-bromopyrimidine-4-carboxylate

  • CAS No. 1207954-85-5

  • Cat. No. CS-W019247
  • Purity≥95%
  • MDL No.MFCD27923790

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

Ethyl 2-bromopyrimidine-4-carboxylate|CS-W019247

Structure of 1207954-85-5

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General Information

  • CAS No. 1207954-85-5
  • Cat. No. CS-W019247
  • Purity ≥95%
  • MDL No. MFCD27923790
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BrN₂O₂
  • Molecular Weight 231.05
  • Synonym(s) None
  • SMILES O=C(C1=NC(Br)=NC=C1)OCC

Description

Ethyl 2-bromopyrimidine-4-carboxylate features a bromine atom at the 2-position and a carboxylate ester at the 4-position of a pyrimidine core. This configuration enables direct functionalization in cross-coupling reactions, offering efficient access to substituted pyrimidines under standard conditions. The compound exhibits good stability and solubility in common organic solvents.

Application

Ethyl 2-bromopyrimidine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions at the C2 position. Its bromine substituent facilitates efficient functionalization under standard Suzuki, Stille, and Negishi conditions, while the ester group provides a handle for further derivatization. The molecule exhibits good bench stability and compatibility with diverse reaction conditions, making it suitable for constructing pyrimidine-based scaffolds relevant to medicinal chemistry and agrochemical development.

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

Quality Control

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   1.4158
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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