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CS-W001157 4
Total: USD 88.00

2-Chloro-4-methylpyrimidine-5-carboxylic acid

  • CAS No. 188781-10-4

  • Cat. No. CS-0045727
  • Purity≥95%
  • MDL No.MFCD09863167

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

2-Chloro-4-methylpyrimidine-5-carboxylic acid|CS-0045727

Structure of 188781-10-4

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General Information

  • CAS No. 188781-10-4
  • Cat. No. CS-0045727
  • Purity ≥95%
  • MDL No. MFCD09863167
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClN₂O₂
  • Molecular Weight 172.57
  • Synonym(s) 5-pyrimidinecarboxylicacid, 2-chloro-4-methyl-
  • SMILES O=C(C1=CN=C(Cl)N=C1C)O

Description

2-Chloro-4-methylpyrimidine-5-carboxylic acid features a pyrimidine core bearing a chloro group at C2, a methyl substituent at C4, and a carboxylic acid function at C5. This arrangement imparts enhanced reactivity in cross-coupling and cyclization processes, enabling efficient integration into bioactive heterocycles under standard conditions.

Application

2-Chloro-4-methylpyrimidine-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its electrophilic chlorine and carboxylic acid functionalities facilitate nucleophilic substitution and amidation reactions under mild conditions. The molecule exhibits good bench stability and facilitates purification via recrystallization, supporting scalable synthesis of bioactive compounds.

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 : 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   63.08
  • LogP   1.13662
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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