Cas no 5555-13-5 (2-(1,1'-Biphenyl-4-yloxy)propanoic Acid)

2-(1,1'-Biphenyl-4-yloxy)propanoic Acid is a biphenyl-based carboxylic acid derivative with applications in organic synthesis and pharmaceutical research. Its structure features a propanoic acid moiety linked to a biphenyl group via an ether bond, offering versatility as an intermediate in the development of bioactive compounds. The biphenyl core enhances rigidity and lipophilicity, which can be advantageous in designing drug candidates with improved binding affinity or metabolic stability. This compound is particularly useful in medicinal chemistry for scaffold modification and structure-activity relationship studies. Its well-defined synthetic route and consistent purity make it a reliable choice for research applications requiring precise molecular frameworks.
2-(1,1'-Biphenyl-4-yloxy)propanoic Acid structure
5555-13-5 structure
Product Name:2-(1,1'-Biphenyl-4-yloxy)propanoic Acid
CAS No:5555-13-5
MF:C15H14O3
MW:242.269864559174
MDL:MFCD00020406
CID:374493
PubChem ID:101181
Update Time:2025-05-24

2-(1,1'-Biphenyl-4-yloxy)propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-([1,1'-biphenyl]-4-yloxy)-
    • 2-([1,1'-Biphenyl]-4-yloxy)propanoic acid
    • 2-(4-phenylphenoxy)propanoic acid
    • Α-(4-BIPHENYLYLOXY)PROPIONIC ACID
    • 2-(1,1'-biphenyl-4-yloxy)propanoic acid
    • 2-(biphenyl-4-yloxy)propanoicacid
    • 2-(Biphenyl-4yloxy)propionic acid
    • BRN 2332527
    • Propionic acid, 2-(4-biphenylyloxy)-
    • EU-0000660
    • .alpha.-(4-Biphenylyloxy)propionic acid
    • FT-0678129
    • FUPGQEMJIGUBGO-UHFFFAOYSA-N
    • 5555-13-5
    • Oprea1_830626
    • SMR000019085
    • AKOS000126421
    • NSC 522948
    • 2-(4-biphenylyloxy)propionic acid
    • CS-0246685
    • 2-(4-phenylphenoxy) propionic acid
    • 2-(biphenyl-4-yloxy)propanoic acid
    • REGID_for_CID_101181
    • WLN: QVY1&OR DR
    • alpha-(4-Biphenylyloxy)propionic acid
    • CHEBI:114350
    • MFCD00020406
    • HMS2380G04
    • SCHEMBL6304189
    • alpha-(4-Phenylphenoxy)propionic acid
    • NSC522948
    • Propanoic acid, 2-((1,1'-biphenyl)-4-yloxy)-
    • MLS000084739
    • Q27195750
    • EN300-33732
    • CHEMBL1338333
    • Oprea1_532652
    • 2-{[1,1'-BIPHENYL]-4-YLOXY}PROPANOIC ACID
    • 2-([1,1'-biphenyl]-4-yloxy)propanoicacid
    • Propanoic acid,1'-biphenyl]-4-yloxy)-
    • Z111782404
    • NSC-522948
    • SR-01000393660-1
    • SR-01000393660
    • AKOS016050466
    • VS-04273
    • ALBB-000282
    • BBL014325
    • 2-([1,1''-Biphenyl]-4-yloxy)propanoic Acid
    • STK397798
    • 2-(1,1'-Biphenyl-4-yloxy)propanoic Acid
    • MDL: MFCD00020406
    • Inchi: 1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)
    • InChI Key: FUPGQEMJIGUBGO-UHFFFAOYSA-N
    • SMILES: O(C(C(=O)O)C)C1C=CC(=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 242.09432
  • Monoisotopic Mass: 242.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 263
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
  • LogP: 3.20550

2-(1,1'-Biphenyl-4-yloxy)propanoic Acid Security Information

  • HazardClass:IRRITANT

2-(1,1'-Biphenyl-4-yloxy)propanoic Acid Pricemore >>

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Additional information on 2-(1,1'-Biphenyl-4-yloxy)propanoic Acid

2-(1,1'-Biphenyl-4-yloxy)propanoic Acid: A Comprehensive Overview

2-(1,1'-Biphenyl-4-yloxy)propanoic Acid, also known by its CAS number CAS No. 5555-13-5, is a compound of significant interest in the fields of organic chemistry and materials science. This compound belongs to the class of biphenyl derivatives, which have been extensively studied due to their unique electronic properties and potential applications in various industries.

The molecular structure of 2-(1,1'-Biphenyl-4-yloxy)propanoic Acid consists of a biphenyl group attached to a propanoic acid moiety via an ether linkage. The biphenyl group, characterized by two benzene rings connected by a single bond, contributes to the compound's aromaticity and stability. The propanoic acid group introduces carboxylic acid functionality, which can participate in various chemical reactions and interactions.

Recent studies have highlighted the potential of biphenyl derivatives in drug discovery and development. The unique electronic properties of these compounds make them promising candidates for use as pharmacophores in medicinal chemistry. For instance, researchers have explored the ability of 2-(1,1'-Biphenyl-4-yloxy)propanoic Acid to act as a scaffold for designing bioactive molecules with improved pharmacokinetic profiles.

In addition to its role in drug development, 2-(1,1'-Biphenyl-4-yloxy)propanoic Acid has also been investigated for its applications in materials science. The compound's ability to form self-assembled monolayers (SAMs) has been leveraged in the development of advanced materials with tailored surface properties. These SAMs have potential applications in sensors, electronics, and catalysis.

The synthesis of CAS No. 5555-13-5 typically involves multi-step organic reactions, including nucleophilic substitution and oxidation processes. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound, reducing production costs and minimizing waste generation.

From an environmental perspective, the stability and biodegradability of 2-(1,1'-Biphenyl-4-yloxy)propanoic Acid have been studied to assess its potential impact on ecosystems. Research indicates that under certain conditions, the compound undergoes microbial degradation, reducing its persistence in the environment.

In conclusion, 2-(1,1'-Biphenyl-4-yloxy)propanoic Acid, with its unique chemical structure and versatile properties, continues to be a focal point for scientific research across multiple disciplines. Its applications span from drug discovery to materials science, underscoring its importance as a valuable chemical entity in modern chemistry.

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