Cas no 20421-34-5 (Propanoic acid, 2-(4-chlorophenoxy)-, (2R)-)

Propanoic acid, 2-(4-chlorophenoxy)-, (2R)-, is a chiral organic compound featuring a propanoic acid backbone substituted with a 4-chlorophenoxy group at the 2-position. The (2R)-configuration indicates its enantiomeric purity, making it valuable for stereoselective synthesis and pharmaceutical applications. The presence of the 4-chlorophenoxy moiety enhances its reactivity in nucleophilic and electrophilic reactions, while the carboxylic acid group allows for further derivatization. This compound is particularly useful in agrochemical and medicinal chemistry research, where its structural specificity can influence biological activity. Its well-defined stereochemistry ensures reproducibility in synthetic pathways, making it a reliable intermediate for targeted molecular design.
Propanoic acid, 2-(4-chlorophenoxy)-, (2R)- structure
20421-34-5 structure
Product Name:Propanoic acid, 2-(4-chlorophenoxy)-, (2R)-
CAS No:20421-34-5
MF:C9H9ClO3
MW:200.618962049484
CID:1393726
PubChem ID:736071
Update Time:2025-05-25

Propanoic acid, 2-(4-chlorophenoxy)-, (2R)- Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-(4-chlorophenoxy)-, (2R)-
    • (2r)-2-(4-chlorophenoxy)propanoic acid
    • 20421-34-5
    • (r)-2-(4-chlorophenoxy) propi-onic acid
    • SCHEMBL607372
    • (R)-(+)-2-(4-Chlorophenoxy)propionic acid
    • CHEMBL281367
    • EN300-5307390
    • Inchi: 1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m1/s1
    • InChI Key: DKHJWWRYTONYHB-ZCFIWIBFSA-N
    • SMILES: ClC1C=CC(=CC=1)O[C@@H](C(=O)O)C

Computed Properties

  • Exact Mass: 200.02407
  • Monoisotopic Mass: 200.0240218g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Propanoic acid, 2-(4-chlorophenoxy)-, (2R)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-5307390-0.05g
(2R)-2-(4-chlorophenoxy)propanoic acid
20421-34-5
0.05g
$2755.0 2023-06-01

Additional information on Propanoic acid, 2-(4-chlorophenoxy)-, (2R)-

Propanoic Acid, 2-(4-Chlorophenoxy)-, (2R)-: A Comprehensive Overview

Propanoic acid, 2-(4-chlorophenoxy)-, (2R)- is a compound with the CAS number 20421-34-5. This compound is a derivative of propanoic acid, characterized by a chiral center at the second carbon atom and a phenoxy group substituted with a chlorine atom at the para position. The compound's structure is defined by its (R) configuration at the chiral center, which plays a significant role in its chemical and biological properties.

The synthesis of propanoic acid, 2-(4-chlorophenoxy)-, (2R)- involves several steps, including the preparation of the phenoxy group and its subsequent attachment to the propanoic acid backbone. The chirality of the compound is introduced during the synthesis process, often through asymmetric catalysis or resolution techniques. This compound has been studied for its potential applications in various fields, including pharmaceuticals and agrochemicals.

Recent research has focused on the biological activity of propanoic acid, 2-(4-chlorophenoxy)-, (2R)-, particularly its effects on cellular signaling pathways and enzyme activity. Studies have shown that this compound exhibits modulatory effects on certain kinases and receptors, making it a potential candidate for drug development. Additionally, investigations into its toxicological profile have provided insights into its safety and potential risks for human health.

In terms of environmental impact, propanoic acid, 2-(4-chlorophenoxy)-, (2R)- has been analyzed for its persistence and bioaccumulation potential in aquatic systems. Research indicates that while the compound may undergo degradation under certain conditions, its stability in specific environments could pose challenges for waste management and disposal practices.

The stereochemistry of propanoic acid, 2-(4-chlorophenoxy)-, (2R)- is a critical factor in determining its pharmacokinetic properties. Studies have demonstrated that the (R) configuration influences the compound's absorption, distribution, metabolism, and excretion (ADME) profile. This understanding is essential for optimizing drug delivery systems and improving therapeutic outcomes.

Moreover, advancements in computational chemistry have enabled researchers to model the molecular interactions of propanoic acid, 2-(4-chlorophenoxy)-, (2R)- with target proteins at an atomic level. These computational studies have provided valuable insights into the compound's binding affinity and selectivity for specific biological targets.

In conclusion, propanoic acid, 2-(4-chlorophenoxy)-, (2R)- represents an intriguing molecule with diverse applications across multiple disciplines. Its unique chemical structure and stereochemistry contribute to its multifaceted properties, making it a subject of ongoing research interest.

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