Cas no 881189-64-6 (3-(4-fluoro-3-methylphenyl)propanoic acid)

3-(4-fluoro-3-methylphenyl)propanoic acid structure
881189-64-6 structure
Product Name:3-(4-fluoro-3-methylphenyl)propanoic acid
CAS No:881189-64-6
MF:C10H11FO2
MW:182.191546678543
MDL:MFCD09025393
CID:706573
PubChem ID:46737560
Update Time:2024-10-26

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

Names and Identifiers

    • Benzenepropanoicacid, 4-fluoro-3-methyl-
    • 3-(4-Fluoro-3-methylphenyl)propionic acid
    • 4-Fluoro-3-methylbenzenepropanoic acid (ACI)
    • AKOS011401498
    • F52891
    • 3-(4-fluoro-3-methylphenyl)propanoic acid
    • DTXSID40674007
    • EN300-240277
    • MFCD09025393
    • F9995-1021
    • JS-4628
    • STL302112
    • 3-(4-FLUORO-3-METHYLPHENYL)PROPIONICACID
    • SCHEMBL14430305
    • 881189-64-6
    • CS-0070692
    • MDL： MFCD09025393
    • Inchi： 1S/C10H11FO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
    • InChI Key： CYLOSAIKMFNNEO-UHFFFAOYSA-N
    • SMILES： O=C(CCC1C=C(C)C(F)=CC=1)O

Computed Properties

  • Exact Mass: 182.074
  • Monoisotopic Mass: 182.074
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 2.1

Experimental Properties

  • Melting Point: 64-69℃

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

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

Production Method 1

Reaction Conditions
1.1 Reagents: tert-Butanol ,  Sodium tert-butoxide ,  4-tert-Butylthiophenol Solvents: N-Methyl-2-pyrrolidone ;  24 h, 1 atm, 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water ;  5 min, rt
Reference
Visible-light-driven anti-Markovnikov hydrocarboxylation of acrylates and styrenes with CO2
Huang, He; et al, CCS Chemistry, 2021, 3(6), 1746-1756

3-(4-fluoro-3-methylphenyl)propanoic acid Raw materials

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