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CS-W001157 4
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Methyl 4-chloropyrimidine-2-carboxylate

  • CAS No. 811450-17-6

  • Cat. No. CS-0265019
  • Purity≥98%
  • MDL No.None

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

Methyl 4-chloropyrimidine-2-carboxylate|CS-0265019

Structure of 811450-17-6

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General Information

  • CAS No. 811450-17-6
  • Cat. No. CS-0265019
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClN₂O₂
  • Molecular Weight 172.57
  • Synonym(s) 2-Pyrimidinecarboxylic acid, 4-chloro-, methyl ester
  • SMILES O=C(C1=NC=CC(Cl)=N1)OC

Description

Methyl 4-chloropyrimidine-2-carboxylate features a chlorinated pyrimidine core with a methyl ester at the C2 position, enabling direct incorporation into heterocyclic scaffolds. The electron-deficient pyrimidine ring facilitates nucleophilic substitution reactions, while the ester group offers versatility in downstream transformations. This compound serves as a key intermediate in medicinal chemistry for synthesizing kinase inhibitors and antiviral agents.

Application

Methyl 4-chloropyrimidine-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds. The chloro group at the 4-position facilitates nucleophilic substitution reactions, while the ester functionality supports selective transformations. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for medicinal chemistry campaigns and process development workflows.

Safety Information

Download SDS
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   52.08
  • LogP   0.9166
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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