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CS-W001157 4
Total: USD 88.00

Methyl 2-bromo-4-(trifluoromethyl)benzoate

  • CAS No. 1214334-90-3

  • Cat. No. CS-0041178
  • Purity≥98%
  • MDL No.MFCD14697995

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

Methyl 2-bromo-4-(trifluoromethyl)benzoate|CS-0041178

Structure of 1214334-90-3

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General Information

  • CAS No. 1214334-90-3
  • Cat. No. CS-0041178
  • Purity ≥98%
  • MDL No. MFCD14697995
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrF₃O₂
  • Molecular Weight 283.04
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC=C(C(F)(F)F)C=C1Br

Description

Methyl 2-bromo-4-(trifluoromethyl)benzoate features a bromine atom at the ortho position and a trifluoromethyl group at the para position relative to the ester. This electron-deficient aromatic system enables efficient cross-coupling reactions, particularly in palladium-catalyzed transformations. The compound is bench-stable and compatible with standard reaction conditions, facilitating the synthesis of complex fluorinated biaryl architectures.

Application

Methyl 2-bromo-4-(trifluoromethyl)benzoate serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo and ester functionalities. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the methyl ester facilitates subsequent derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for constructing complex aromatic scaffolds and heterocycles in high-throughput screening campaigns.

Synthesis

  • Route1
    • In-stock
      2-Bromo-4-(trifluoromethyl)benzoic acid|CS-W008307
      328-89-2
    • null|null
      74-88-4
    • ~95%
    • In-stock
      Methyl 2-bromo-4-(trifluoromethyl)benzoate|CS-0041178
      1214334-90-3

    References

    • Auvil, Tyler J.; Mattson, Anita E. Synthesis (Germany), 2012 , vol. 44, # 14 art. no. SS-2012-C0242-ST, p. 2173 - 2180
  • Route2

    References

    • Auvil, Tyler J.; Mattson, Anita E. Synthesis (Germany), 2012 , vol. 44, # 14 art. no. SS-2012-C0242-ST, p. 2173 - 2180

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   26.3
  • LogP   3.2545
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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