Cas no 883531-28-0 (2-(2-fluoro-4-methoxyphenyl)acetic acid)

2-(2-fluoro-4-methoxyphenyl)acetic acid structure
883531-28-0 structure
Product Name:2-(2-fluoro-4-methoxyphenyl)acetic acid
CAS No:883531-28-0
MF:C9H9FO3
MW:184.164366483688
MDL:MFCD06800744
CID:721201
PubChem ID:19361978
Update Time:2024-12-09

2-(2-fluoro-4-methoxyphenyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-4-methoxyphenylacetic acid
    • 2-fluoro-4-methoxyBenzeneacetic acid
    • Benzeneacetic acid,2-fluoro-4-methoxy-
    • 2-(2-fluoro-4-methoxyphenyl)acetic acid
    • (2-fluoro-4-methoxyphenyl)acetic acid
    • PubChem4172
    • 2-FLUORO-4-METHOXYLPHENYLACETIC ACID
    • KSC495C2T
    • WGODSCYEKWDSAV-UHFFFAOYSA-N
    • CL8760
    • SBB064503
    • CM13707
    • AS01972
    • AB0027241
    • AM20060024
    • W9056
    • ST24022243
    • 2-Fluoro-4-methoxybenzeneacetic acid (ACI)
    • AKOS005255509
    • FS-3074
    • SY031605
    • DTXSID60598372
    • EN300-157319
    • J-509413
    • SCHEMBL1142783
    • AC-4193
    • Z1201623880
    • 2-Fluoro-4-methoxyphenylaceticacid
    • 883531-28-0
    • CS-W017011
    • MFCD06800744
    • MDL： MFCD06800744
    • Inchi： 1S/C9H9FO3/c1-13-7-3-2-6(4-9(11)12)8(10)5-7/h2-3,5H,4H2,1H3,(H,11,12)
    • InChI Key： WGODSCYEKWDSAV-UHFFFAOYSA-N
    • SMILES： O=C(CC1C(F)=CC(OC)=CC=1)O

Computed Properties

  • Exact Mass: 184.05400
  • Monoisotopic Mass: 184.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Density: 1.269
  • Boiling Point: 290.6°C at 760 mmHg
  • Flash Point: 129.5°C
  • Refractive Index: 1.519
  • PSA: 46.53000
  • LogP: 1.46140

2-(2-fluoro-4-methoxyphenyl)acetic acid Security Information

2-(2-fluoro-4-methoxyphenyl)acetic acid Pricemore >>

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TRC
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2-(2-fluoro-4-methoxyphenyl)acetic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ethanol ,  Diphenyl diselenide ,  Sodium borohydride ;  30 min, rt
1.2 Reagents: Sodium hydroxide Solvents: Ethanol ;  rt → 40 °C; 24 - 36 h, 40 °C
1.3 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water ;  pH 1, 0 °C
Reference
Influence of Chlorine or Fluorine Substitution on the Estrogenic Properties of 1-Alkyl-2,3,5-tris(4-hydroxyphenyl)-1H-pyrroles
Schaefer, Anja; et al, Journal of Medicinal Chemistry, 2012, 55(22), 9607-9618

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ,  Dimethylformamide ;  -9 °C; 2 h, -8 °C
1.2 Reagents: Hydrochloric acid Solvents: Toluene ,  Water ;  40 min, -5 °C; 30 min, cooled
2.1 Reagents: Ethanol ,  Diphenyl diselenide ,  Sodium borohydride ;  30 min, rt
2.2 Reagents: Sodium hydroxide Solvents: Ethanol ;  rt → 40 °C; 24 - 36 h, 40 °C
2.3 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water ;  pH 1, 0 °C
Reference
Influence of Chlorine or Fluorine Substitution on the Estrogenic Properties of 1-Alkyl-2,3,5-tris(4-hydroxyphenyl)-1H-pyrroles
Schaefer, Anja; et al, Journal of Medicinal Chemistry, 2012, 55(22), 9607-9618

2-(2-fluoro-4-methoxyphenyl)acetic acid Raw materials

2-(2-fluoro-4-methoxyphenyl)acetic acid Preparation Products

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