Cas no 106877-42-3 (Benzene, 2,4-dimethoxy-1-(trifluoromethyl)-)

Benzene, 2,4-dimethoxy-1-(trifluoromethyl)- structure
106877-42-3 structure
Product Name:Benzene, 2,4-dimethoxy-1-(trifluoromethyl)-
CAS No:106877-42-3
MF:C9H9F3O2
MW:206.161773443222
CID:1185181
PubChem ID:11195089
Update Time:2025-04-20

Benzene, 2,4-dimethoxy-1-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2,4-dimethoxy-1-(trifluoromethyl)-
    • 1,3-Dimethoxy-4-(trifluoromethyl)benzene
    • IKLUEOPZYMFAQK-UHFFFAOYSA-N
    • SCHEMBL7909509
    • 2,4-dimethoxy-1-(trifluoromethyl)benzene
    • 106877-42-3
    • Inchi: 1S/C9H9F3O2/c1-13-6-3-4-7(9(10,11)12)8(5-6)14-2/h3-5H,1-2H3
    • InChI Key: IKLUEOPZYMFAQK-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1OC)OC)(F)F

Computed Properties

  • Exact Mass: 206.05547
  • Monoisotopic Mass: 206.05546401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 3.3
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46

Benzene, 2,4-dimethoxy-1-(trifluoromethyl)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 4,4′-Difluoro-1,1′-biphenyl ,  Cuprous chloride Solvents: Acetonitrile ;  30 min, 0 °C
2.1 Reagents: Sodium nitrite ,  Hydrofluoric acid Solvents: Dimethylformamide ,  Acetonitrile ,  Water ;  0 °C; 10 min, 0 °C; 5 min, 0 °C
Reference
Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media
Lishchynskyi, Anton; et al, Chemical Communications (Cambridge, 2014, 50(71), 10237-10240

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrofluoric acid Solvents: Dimethylformamide ,  Acetonitrile ,  Water ;  0 °C; 10 min, 0 °C; 5 min, 0 °C
Reference
Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media
Lishchynskyi, Anton; et al, Chemical Communications (Cambridge, 2014, 50(71), 10237-10240

Benzene, 2,4-dimethoxy-1-(trifluoromethyl)- Raw materials

Benzene, 2,4-dimethoxy-1-(trifluoromethyl)- Preparation Products

Benzene, 2,4-dimethoxy-1-(trifluoromethyl)- Related Literature

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