Cas no 852181-17-0 (3-(2-fluoro-4-methylphenyl)propanoic acid)

3-(2-Fluoro-4-methylphenyl)propanoic acid is a fluorinated aromatic carboxylic acid derivative with potential applications in pharmaceutical and agrochemical research. Its structure, featuring a fluorine substituent and a methyl group on the phenyl ring, enhances its utility as a versatile intermediate in organic synthesis. The fluorine atom contributes to increased metabolic stability and bioavailability, making it valuable in drug discovery. The propanoic acid moiety allows for further functionalization, enabling the synthesis of esters, amides, or other derivatives. This compound is particularly useful in the development of bioactive molecules due to its balanced lipophilicity and electronic properties. High purity and consistent quality ensure reliable performance in research applications.
3-(2-fluoro-4-methylphenyl)propanoic acid structure
852181-17-0 structure
Product Name:3-(2-fluoro-4-methylphenyl)propanoic acid
CAS No:852181-17-0
MF:C10H11FO2
MW:182.191546678543
CID:1835249
PubChem ID:46737562
Update Time:2025-05-27

3-(2-fluoro-4-methylphenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-fluoro-4-methyl-phenyl)propanoic acid
    • 3-(2-fluoro-4-methylphenyl)propanoic acid
    • 2-Fluoro-4-methylbenzenepropanoic acid (ACI)
    • A1-08418
    • CJB18117
    • 3-(2-fluoro-4-methylphenyl)propanoicacid
    • MFCD09025394
    • F52889
    • EN300-1846357
    • 3-(2-FLUORO-4-METHYLPHENYL)PROPIONIC ACID
    • AKOS006283920
    • SCHEMBL16207513
    • 852181-17-0
    • JS-4630
    • CS-0456244
    • MDL： MFCD09025394
    • Inchi： 1S/C10H11FO2/c1-7-2-3-8(9(11)6-7)4-5-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
    • InChI Key： HQOAGAGIHCHXLP-UHFFFAOYSA-N
    • SMILES： O=C(CCC1C(F)=CC(C)=CC=1)O

Computed Properties

  • Exact Mass: 182.07430775g/mol
  • Monoisotopic Mass: 182.07430775g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Color/Form: No date available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No date available
  • Boiling Point: 291.8±25.0 °C at 760 mmHg
  • Flash Point: 130.3±23.2 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-(2-fluoro-4-methylphenyl)propanoic acid Security Information

3-(2-fluoro-4-methylphenyl)propanoic acid Pricemore >>

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3-(2-fluoro-4-methylphenyl)propanoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  20 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  3 h, reflux; cooled
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Chiral building blocks: enantioselective syntheses of benzyloxymethyl phenyl propionic acids
Parsons, Jack G.; Stachurska-Buczek, Danuta; Choi, Neil; Griffiths, Peter G.; Huggins, Daniel A.; et al, Molecules, 2004, 9(6), 449-458

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