4-(2,4-Difluorophenyl)-4-oxobutanoic acid

Name: 4-(2,4-Difluorophenyl)-4-oxobutanoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 110931-77-6
Cat. No. CS-0130721
Purity≥95%
MDL No.MFCD00143016

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4-(2,4-Difluorophenyl)-4-oxobutanoic acid|CS-0130721

Structure of 110931-77-6

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General Information

CAS No. 110931-77-6
Cat. No. CS-0130721
Purity ≥95%
MDL No. MFCD00143016
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈F₂O₃
Molecular Weight 214.17
Synonym(s) Posacozole Related Compound 1
SMILES O=C(O)CCC(C1=CC=C(F)C=C1F)=O

Description

4-(2,4-Difluorophenyl)-4-oxobutanoic acid features a fluorinated aryl moiety paired with a β-keto acid functional group, enabling integration into diverse synthetic scaffolds. The electron-deficient difluorophenyl ring enhances reactivity in conjugate addition and cyclization processes, while the carboxylic acid facilitates derivatization. This compound serves as a key building block for bioactive molecule synthesis under standard conditions.

Synthesis

Route1
- In-stock
  
  108-30-5
- 372-18-9
- ~%
- In-stock
  
  110931-77-6
References
- Journal of Medicinal Chemistry, , vol. 36, # 19 p. 2810 - 2816
Route2
- 372-18-9
- ~%
- In-stock
  
  110931-77-6
References
- Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 22 p. 5537 - 5542

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

TPSA 54.37
LogP 2.0123
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(2,4-Difluorophenyl)-4-oxobutanoic acid

CAS No. 110931-77-6

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