2-(4-Bromophenyl)-2,2-difluoroacetic acid

Name: 2-(4-Bromophenyl)-2,2-difluoroacetic acid
Brand: ChemScene
Availability: InStock
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CAS No. 913574-93-3
Cat. No. CS-0227164
Purity≥97%
MDL No.MFCD11167796

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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-(4-Bromophenyl)-2,2-difluoroacetic acid|CS-0227164

Structure of 913574-93-3

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General Information

CAS No. 913574-93-3
Cat. No. CS-0227164
Purity ≥97%
MDL No. MFCD11167796
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O₂
Molecular Weight 251.02
Synonym(s) Benzeneacetic acid, 4-bromo-α,α-difluoro-
SMILES O=C(C(F)(C1=CC=C(C=C1)Br)F)O

Description

This difluorinated acetic acid derivative features a 4-bromophenyl substituent that imparts enhanced lipophilicity and metabolic stability. The electron-withdrawing fluorine atoms amplify acidity while maintaining bench-stable handling properties. This structural motif serves as a key building block in the synthesis of bioactive pharmaceutical intermediates, particularly those requiring halogenated aromatic frameworks for targeted receptor interactions.

Application

2-(4-Bromophenyl)-2,2-difluoroacetic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aryl motifs found in bioactive molecules. Its difluoromethyl group imparts metabolic stability and enhanced lipophilicity, while the bromophenyl moiety facilitates downstream cross-coupling reactions. The compound exhibits bench stability and is compatible with standard purification techniques, making it well-suited for use in iterative synthesis campaigns targeting complex heterocyclic scaffolds and pharmaceutical intermediates.

Synthesis

Route1
- 1022155-94-7
- ~%
- In-stock
  
  913574-93-3
References
- Sheppeck, James; Dhar, T.G. Murali; Doweyko, Lidia; Gilmore, John; Weinstein, David; Xiao, Hai-Yun; Yang, Bingwei V.; Doweyko, Arthur M. Patent: US2006/154973 A1, 2006 ; Location in patent: Page/Page column 47 ;
Route2
- In-stock
  
  589-87-7
- ~%
- In-stock
  
  913574-93-3
References
- Fujikawa, Kenichi; Fujioka, Yasutaka; Kobayashi, Akira; Amii, Hideki Organic Letters, 2011 , vol. 13, # 20 p. 5560 - 5563

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 2.6255
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-Bromophenyl)-2,2-difluoroacetic acid

CAS No. 913574-93-3

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