2-Acetamido-3-(4-fluorophenyl)propanoic acid

Name: 2-Acetamido-3-(4-fluorophenyl)propanoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 17481-06-0
Cat. No. CS-0154003
Purity≥98%
MDL No.MFCD00017983

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Acetamido-3-(4-fluorophenyl)propanoic acid|CS-0154003

Structure of 17481-06-0

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General Information

CAS No. 17481-06-0
Cat. No. CS-0154003
Purity ≥98%
MDL No. MFCD00017983
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂FNO₃
Molecular Weight 225.22
Synonym(s) N-Acetyl-DL-4-fluorophenylalanine
SMILES CC(NC(C(O)=O)CC1=CC=C(F)C=C1)=O

Description

2-Acetamido-3-(4-fluorophenyl)propanoic acid features a fluorinated aromatic ring paired with a chiral α-amino acid scaffold, delivering enhanced metabolic stability and targeted bioavailability. This structural motif enables efficient integration into peptide-based therapeutics and chemical probes.

Application

2-Acetamido-3-(4-fluorophenyl)propanoic acid serves as a valuable building block for the synthesis of bioactive heterocycles and peptide conjugates. Its well-defined functional group array—amide, carboxylic acid, and aryl fluoride—enables diverse transformations under standard coupling and cyclization conditions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it suitable for scalable medicinal chemistry campaigns and API intermediate development.

Synthesis

Route1
- 5429-56-1
- 459-45-0
- ~44%
- In-stock
  
  17481-06-0
References
- Hoefling, Sarah B.; Hultsch, Christina; Wester, Hans-Juergen; Heinrich, Markus R. Tetrahedron, 2008 , vol. 64, # 52 p. 11846 - 11851
Route2
- 380-71-2
- ~%
- In-stock
  
  17481-06-0
References
- Journal of the American Chemical Society, , vol. 72, p. 1806

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 66.4
LogP 0.9575
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Peptide Chemistry Unnatural Amino Acid Derivatives

Key Words

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2-Acetamido-3-(4-fluorophenyl)propanoic acid

CAS No. 17481-06-0

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