Cas no 96994-70-6 (3-Fluoro-2-methoxyphenol)

3-Fluoro-2-methoxyphenol structure
3-Fluoro-2-methoxyphenol structure
Product Name:3-Fluoro-2-methoxyphenol
CAS No:96994-70-6
MF:C7H7FO2
MW:142.127685785294
MDL:MFCD12756463
CID:857132
PubChem ID:13437347
Update Time:2024-10-25

3-Fluoro-2-methoxyphenol Chemical and Physical Properties

Names and Identifiers

    • 3-FLUORO-2-METHOXYPHENOL
    • 2-fluoro-6-hydroxyanisole
    • Phenol,3-fluoro-2-methoxy
    • 3-Fluoro-2-methoxyphenol (ACI)
    • 3-Fluoro-2-methoxy-phenol
    • CS-0195312
    • AKOS006346589
    • E90751
    • MFCD12756463
    • DDDOFQQYNZCQSD-UHFFFAOYSA-N
    • SY355111
    • DB-128356
    • 96994-70-6
    • SCHEMBL2575946
    • Phenol, 3-fluoro-2-methoxy-
    • DTXSID60540816
    • BS-24504
    • 3-Fluoro-2-methoxyphenol
    • MDL: MFCD12756463
    • Inchi: 1S/C7H7FO2/c1-10-7-5(8)3-2-4-6(7)9/h2-4,9H,1H3
    • InChI Key: DDDOFQQYNZCQSD-UHFFFAOYSA-N
    • SMILES: FC1C(OC)=C(O)C=CC=1

Computed Properties

  • Exact Mass: 142.04300
  • Monoisotopic Mass: 142.04300762g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 108
  • 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: 1.6
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46000
  • LogP: 1.53990

3-Fluoro-2-methoxyphenol Pricemore >>

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$98.00 2023-05-18
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$190.00 2023-05-18
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3-Fluoro-2-methoxyphenol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  rt → 50 °C; overnight, 50 °C; 50 °C → rt
1.2 Reagents: 3-Chlorobenzoic acid ,  m-Chloroperbenzoic acid Solvents: Dichloromethane ,  Water ;  overnight, rt
1.3 Reagents: Triethylamine Solvents: Methanol ;  rt; 2 - 12 h, rt
Reference
A mild meta-selective C-H alkylation of catechol mono-ethers
Vitaku, Edon; Njardarson, Jon T., European Journal of Organic Chemistry, 2016, 2016(22), 3679-3683

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -75 °C; 30 min, -75 °C
1.2 Reagents: Trimethyl borate ;  5 min, -75 °C
1.3 Reagents: Acetic acid ,  Hydrogen peroxide Solvents: Water ;  30 min, 0 °C; 3 h, rt
Reference
Phenyl acetate derivatives, fluorine-substituted on the phenyl group, as rapid recovery hypnotic agents with reflex depression
Zhang, Heng; Xu, Xiangqing; Chen, Yin; Qiu, Yinli; Liu, Xin; et al, European Journal of Medicinal Chemistry, 2015, 89, 524-539

Production Method 3

Reaction Conditions
1.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  12 h, heated
Reference
The Baeyer-Villiger oxidation of ketones and aldehydes
Krow, Grant R., Organic Reactions (Hoboken, 1993, (1993),

Production Method 4

Reaction Conditions
1.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane
Reference
A new synthesis of 3-fluoroveratrole and 2-fluoro-3,4-dimethoxybenzaldehyde
Ladd, David L.; Gaitanopoulos, Dimitri; Weinstock, Joseph, Synthetic Communications, 1985, 15(1), 61-9

3-Fluoro-2-methoxyphenol Raw materials

3-Fluoro-2-methoxyphenol Preparation Products

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