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CS-W001157 4
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Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate

  • CAS No. 188781-08-0

  • Cat. No. CS-W008424
  • Purity≥97%
  • MDL No.MFCD03425963

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

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate|CS-W008424

Structure of 188781-08-0

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General Information

  • CAS No. 188781-08-0
  • Cat. No. CS-W008424
  • Purity ≥97%
  • MDL No. MFCD03425963
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClN₂O₂
  • Molecular Weight 200.62
  • Synonym(s) 2-Chloro-4-methyl-5-pyrimidinecarboxylicacidethylester
  • SMILES O=C(C1=CN=C(Cl)N=C1C)OCC

Description

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate features a pyrimidine core with orthogonal reactive handles: a chloro group at C2 enabling nucleophilic substitution and an ester at C5 for selective derivatization. The methyl substituent at C4 enhances electronic stabilization, while the ethyl ester facilitates purification and downstream transformations under standard conditions. This compound serves as a key scaffold in heterocyclic synthesis.

Application

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. The chloro group at C2 facilitates nucleophilic substitution reactions, while the ester function supports further derivatization. Its bench-stable nature and compatibility with standard coupling protocols make it ideal 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 : 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

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   1.61512
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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