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

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

CAS No. 174603-38-4
Cat. No. CS-0074161
Purity≥98%
MDL No.None

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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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3-(2-Chloro-4-fluorophenyl)propanoic acid|CS-0074161

Structure of 174603-38-4

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General Information

CAS No. 174603-38-4
Cat. No. CS-0074161
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈ClFO₂
Molecular Weight 202.61
Synonym(s) 3-(2-CHLORO-4-FLUORO-PHENYL)-PROPIONIC ACID
SMILES O=C(O)CCC(C=C1)=C(Cl)C=C1F

Description

This chlorinated phenylpropanoic acid features a 2-chloro-4-fluorophenyl group linked to a propanoic acid chain, offering enhanced metabolic stability and improved lipophilicity for medicinal chemistry applications. The electron-withdrawing halogens fine-tune electronic properties, enabling precise modulation of pharmacokinetic profiles in bioactive molecule design.

Application

3-(2-Chloro-4-fluorophenyl)propanoic acid serves as a versatile building block for pharmaceutical intermediates, enabling efficient construction of bioactive heterocycles and drug-like scaffolds. Its ortho-chloro and para-fluoro substitution pattern provides enhanced metabolic stability and modulates lipophilicity, while the carboxylic acid functionality facilitates direct derivatization or coupling reactions. The compound exhibits excellent bench stability and is compatible with standard synthetic protocols, including amide formation, esterification, and transition-metal-catalyzed transformations.

Synthesis

Route1
- In-stock
  
  174603-37-3
- ~95%
- In-stock
  
  174603-38-4
References
- Musso, David L.; Orr, G. Faye; Cochran, Felicia R.; Kelley, James L.; Selph, Jeffrey L.; Rigdon, Greg C.; Cooper, Barrett R.; Jones, Michael L. Journal of Medicinal Chemistry, 2003 , vol. 46, # 3 p. 409 - 416
Route2
- In-stock
  
  84194-36-5
- ~%
- In-stock
  
  174603-38-4
References
- Musso, David L.; Orr, G. Faye; Cochran, Felicia R.; Kelley, James L.; Selph, Jeffrey L.; Rigdon, Greg C.; Cooper, Barrett R.; Jones, Michael L. Journal of Medicinal Chemistry, 2003 , vol. 46, # 3 p. 409 - 416

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

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Computational Chemistry Data

TPSA 37.3
LogP 2.4963
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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

CAS No. 174603-38-4

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