Methyl 4-fluorobenzoylacetate

Name: Methyl 4-fluorobenzoylacetate
Brand: ChemScene
Availability: InStock
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CAS No. 63131-29-3
Cat. No. CS-W015708
Purity≥95%
MDL No.MFCD00000355

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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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Methyl 4-fluorobenzoylacetate|CS-W015708

Structure of 63131-29-3

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General Information

CAS No. 63131-29-3
Cat. No. CS-W015708
Purity ≥95%
MDL No. MFCD00000355
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉FO₃
Molecular Weight None
Synonym(s) Methyl p-fluorobenzoylacetate
SMILES O=C(OC)CC(C1=CC=C(F)C=C1)=O

Description

Methyl 4-fluorobenzoylacetate features a fluorinated aromatic ring coupled to a β-keto ester moiety, enabling direct integration into conjugated systems. This bench-stable compound serves as a key building block for synthesizing fluorinated pharmaceutical intermediates and functionalized polymers under standard conditions.

Application

Methyl 4-fluorobenzoylacetate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted benzene rings and heterocyclic scaffolds. Its α-keto ester functionality facilitates nucleophilic addition, condensation reactions, and Michael additions under mild conditions. The fluorine substituent imparts enhanced metabolic stability and modulates electronic properties, making it valuable for medicinal chemistry applications. Bench-stable and readily purified by distillation or chromatography, it functions effectively in multi-step syntheses requiring functional group tolerance and predictable reactivity.

Synthesis

Route1
- In-stock
  
  403-42-9
- 616-38-6
- ~93%
- In-stock
  
  63131-29-3
References
- Roth, B. D.; Blankley, C. J.; Chucholowski, A. W.; Ferguson, E.; Hoefle, M. L.; et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 1 p. 357 - 366
Route2
- 67-56-1
- 201230-82-2
- In-stock
  
  456-04-2
- ~63%
- In-stock
  
  63131-29-3
References
- Wahl, Benoit; Bonin, Helene; Mortreux, Andre; Sauthier, Mathieu; Giboulot, Steven; Liron, Frederic; Poli, Giovanni Advanced Synthesis and Catalysis, 2012 , vol. 354, # 16 p. 3105 - 3114,10

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 43.37
LogP 1.5715
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-fluorobenzoylacetate

CAS No. 63131-29-3

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