2-(Trifluoromethyl)pyrimidine-4-carboxylic acid

Name: 2-(Trifluoromethyl)pyrimidine-4-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 878742-59-7
Cat. No. CS-W021466
Purity≥96%
MDL No.MFCD15526666

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-(Trifluoromethyl)pyrimidine-4-carboxylic acid|CS-W021466

Structure of 878742-59-7

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General Information

CAS No. 878742-59-7
Cat. No. CS-W021466
Purity ≥96%
MDL No. MFCD15526666
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃F₃N₂O₂
Molecular Weight 192.10
Synonym(s) 2-(Trifluoromethyl)-4-pyrimidinecarboxylic acid
SMILES O=C(C1=NC(C(F)(F)F)=NC=C1)O

Description

2-(Trifluoromethyl)pyrimidine-4-carboxylic acid features a trifluoromethyl group at the 2-position and a carboxylic acid at the 4-position on a pyrimidine scaffold, delivering enhanced electron-withdrawing character and metabolic stability. This combination enables robust integration into bioactive molecules, particularly in kinase inhibitors and pharmaceutical scaffolds requiring high lipophilicity and targeted reactivity. The compound exhibits excellent bench stability and solubility under standard conditions, facilitating use in synthetic workflows.

Application

2-(Trifluoromethyl)pyrimidine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates direct derivatization or incorporation into peptide-like scaffolds. The molecule exhibits good bench stability and compatibility with common reaction conditions, making it well-suited for iterative synthesis campaigns targeting kinase inhibitors and other pharmaceutical candidates.

Synthesis

Route1
- 878745-51-8
- ~%
- In-stock
  
  878742-59-7
References
- US2010/22546 A1, ; Page/Page column 22 ;

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 63.08
LogP 1.1936
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-(Trifluoromethyl)pyrimidine-4-carboxylic acid

CAS No. 878742-59-7

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