Methyl 4-bromo-2,6-difluorobenzoate

Name: Methyl 4-bromo-2,6-difluorobenzoate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 773134-11-5
Cat. No. CS-0018767
Purity≥96%
MDL No.MFCD06204169

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 4-bromo-2,6-difluorobenzoate|CS-0018767

Structure of 773134-11-5

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General Information

CAS No. 773134-11-5
Cat. No. CS-0018767
Purity ≥96%
MDL No. MFCD06204169
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O₂
Molecular Weight 251.02
Synonym(s) Methyl 4-bromo-2
SMILES O=C(OC)C1=C(F)C=C(Br)C=C1F

Description

Methyl 4-bromo-2,6-difluorobenzoate features a trifunctional aromatic core with orthogonal reactivity: the ester group enables derivatization, while the bromo and difluoro substituents offer distinct handles for cross-coupling and directed functionalization. This bench-stable, moisture-tolerant scaffold integrates seamlessly into complex molecular architectures.

Application

Methyl 4-bromo-2,6-difluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis. The ortho-fluoro substituents enhance metabolic stability and modulate electronic properties, while the bromo group enables palladium-catalyzed cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient late-stage diversification in complex molecule assembly.

Synthesis

Route1
- 67-56-1
- In-stock
  
  183065-68-1
- ~90%
- In-stock
  
  773134-11-5
References
- MERCK SHARP and DOHME CORP; COBURN, Craig, A.; ROSENBLUM, Stuart, B.; KOZLOWSKI, Joseph, A.; SOLL, Richard; WU, Hao; HU, Bin; ZHONG, Bin; WANG, Dahai; SHEN, Changmao; SUN, Fei Patent: WO2012/125926 A2, 2012 ; Location in patent: Page/Page column 82-83 ;
Route2
- 67-56-1
- ~%
- In-stock
  
  773134-11-5
References
- WO2007/131991 A1, ; Page/Page column 117 ;
Route3
- In-stock
  
  183065-68-1
- ~91%
- In-stock
  
  773134-11-5
References
- MERCK SHARP and DOHME CORP.; COBURN, Craig, A.; ROSENBLUM, Stuart, B.; KOZLOWSKI, Joseph, A.; SOLL, Richard; WU, Hao; HU, Bin; ZHONG, Bin; WANG, Dahai; SHEN, Changmao; SUN, Fei Patent: WO2012/122716 A1, 2012 ; Location in patent: Page/Page column 101-102 ;

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 2.5139
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-bromo-2,6-difluorobenzoate

CAS No. 773134-11-5

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