1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-one

Name: 1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 248274-16-0
Cat. No. CS-0146952
Purity≥97%
MDL No.MFCD10696269

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-one|CS-0146952

Structure of 248274-16-0

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General Information

CAS No. 248274-16-0
Cat. No. CS-0146952
Purity ≥97%
MDL No. MFCD10696269
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆F₃NO
Molecular Weight 189.13
Synonym(s) 1-(5-(Trifluoromethyl)pyridin-2-YL)ethanone
SMILES CC(C1=NC=C(C(F)(F)F)C=C1)=O

Description

1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-one features a trifluoromethyl-substituted pyridine ring coupled to an acetyl group, delivering enhanced electron-withdrawing character and improved metabolic stability. This structure enables efficient integration into pharmaceutical intermediates and functional materials. The compound exhibits excellent bench stability and solubility in common organic solvents, facilitating straightforward handling in synthetic workflows.

Application

1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyridine-based pharmacophores. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the acetyl functionality facilitates nucleophilic addition, Grignard reactions, and transition-metal-catalyzed couplings. The compound exhibits excellent bench stability and is compatible with standard purification protocols, making it ideal for iterative synthesis of API candidates and heterocyclic scaffolds.

Synthesis

Route1
- In-stock
  
  95727-86-9
- 75-16-1
- ~%
- In-stock
  
  248274-16-0
References
- Nissan Chemical Industries, Ltd. Patent: EP1671941 A1, 2006 ; Location in patent: Page/Page column 217 ;
Route2
- In-stock
  
  50488-42-1
- ~10%
- In-stock
  
  248274-16-0
References
- ROHM AND HAAS COMPANY Patent: EP955291 A1, 1999 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 29.96
LogP 2.303
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-one

CAS No. 248274-16-0

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