1-(3-Chlorophenyl)-2,2,2-trifluoroethanone

Name: 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 321-31-3
Cat. No. CS-0019050
Molecule weight208.57
Purity≥96%
MDL No.MFCD00461896

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-(3-Chlorophenyl)-2,2,2-trifluoroethanone|CS-0019050

Structure of 321-31-3

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General Information

CAS No. 321-31-3
Cat. No. CS-0019050
Purity ≥96%
MDL No. MFCD00461896
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClF₃O
Molecular Weight 208.57
Synonym(s) trifluoromethyl3-chlorophenylketone
SMILES FC(F)(F)C(C1=CC=CC(Cl)=C1)=O

Description

1-(3-Chlorophenyl)-2,2,2-trifluoroethanone features a trifluoromethyl ketone moiety flanked by a 3-chlorophenyl group, delivering enhanced electrophilicity and stability. This configuration enables efficient integration into C–C bond formation reactions, particularly in nucleophilic additions and transition-metal-catalyzed couplings. The molecule exhibits robust bench-stability under standard conditions and demonstrates favorable solubility in common organic solvents.

Application

1-(3-Chlorophenyl)-2,2,2-trifluoroethanone serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated aryl ketones via standard carbonyl transformations. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the ortho-chloro substituent provides a handle for further functionalization. The compound exhibits good bench stability and facilitates efficient synthesis of heterocyclic scaffolds and API intermediates through nucleophilic addition and condensation reactions.

Synthesis

Route1
- In-stock
  
  81577-11-9
- ~95%
- In-stock
  
  321-31-3
References
- Cheng, Huicheng; Pei, Yu; Leng, Faqiang; Li, Jingya; Liang, Apeng; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng Tetrahedron Letters, 2013 , vol. 54, # 33 p. 4483 - 4486
Route2
- In-stock
  
  340-07-8
- In-stock
  
  108-37-2
- ~59%
- In-stock
  
  321-31-3
References
- Schenck, Hilary A.; Lenkowski, Paul W.; Choudhury-Mukherjee, Indrani; Ko, Seong-Hoon; Stables, James P.; Patel, Manoj K.; Brown, Milton L. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 5 p. 979 - 993
Route3
- In-stock
  
  434-45-7
- ~%
- In-stock
  
  321-31-3
References
- Journal of the American Chemical Society, , vol. 73, p. 709

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 17.07
LogP 3.085
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3-Chlorophenyl)-2,2,2-trifluoroethanone

CAS No. 321-31-3

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