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CS-W001157 4
Total: USD 88.00

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

  • CAS No. 175137-27-6

  • Cat. No. CS-W010287
  • Purity≥97%
  • MDL No.MFCD00068146

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

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate|CS-W010287

Structure of 175137-27-6

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General Information

  • CAS No. 175137-27-6
  • Cat. No. CS-W010287
  • Purity ≥97%
  • MDL No. MFCD00068146
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClF₃N₂O₂
  • Molecular Weight 240.57
  • Synonym(s) methyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}butanoate
  • SMILES COC(=O)C1=C(N=C(Cl)N=C1)C(F)(F)F

Description

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability. The chloro substituent enables selective nucleophilic substitution, while the ester functionality supports derivatization under standard conditions. This pyrimidine scaffold serves as a key building block in agrochemical and medicinal chemistry applications.

Application

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-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, while the trifluoromethyl and ester functionalities offer enhanced metabolic stability and synthetic handle for further derivatization. Its bench-stable nature and compatibility with standard coupling reactions make it well-suited for medicinal chemistry and API development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   1.9354
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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