2-Fluoro-4-methylsulfonylphenol

Base Information

• Chemical Name: 2-Fluoro-4-methylsulfonylphenol
• CAS No.: 398456-87-6
• Molecular Formula: C7H7FO3S
• Molecular Weight: 190.195
• Hs Code.: 2930909899
• European Community (EC) Number: 637-047-7
• DSSTox Substance ID: DTXSID30583139
• Wikidata: Q72475016
• Mol file: 398456-87-6.mol

Synonyms:2-Fluoro-4-methylsulfonylphenol;398456-87-6;2-fluoro-4-(methylsulfonyl)phenol;2-fluoro-4-methanesulfonylphenol;2-fluoro-4-methylsulfonyl-phenol;2-fluoro-4-(methylsulphonyl)phenol;2-fluoro-4-mesylphenol;phenylhydrazinehydrochloride;SCHEMBL355740;DTXSID30583139;2-fluoro-4-methanesulfonyl-phenol;OVEMQCGVMRIIHW-UHFFFAOYSA-N;2-Fluoro-4-(methanesulfonyl)phenol;MFCD09264549;AKOS006343744;FS-2143;BP-13378;A6648;CS-0205688;EN300-7374830;J-509423

Chemical Property of 2-Fluoro-4-methylsulfonylphenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 92-94℃
• Refractive Index: 1.538
• Boiling Point: 362.812 °C at 760 mmHg
• Flash Point: 173.223 °C
• PSA: 62.75000
• Density: 1.421 g/cm³
• LogP: 2.01560
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.00999342
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-methylsulfonylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)O)F

Technology Process of 2-Fluoro-4-methylsulfonylphenol

There total 4 articles about 2-Fluoro-4-methylsulfonylphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

2-fluoro-1-methoxy-4-(methylsulfonyl)benzene (20951-14-8) → 2-fluoro-4-(methanesulfonyl)phenol (398456-87-6)

Guidance literature:

With water; hydrogen bromide; acetic acid; for 24h; Heating / reflux;

Reference yield: 70.0%

4-bromo-2-fluorophenol (2105-94-4) + sodium methansulfinate (20277-69-4) → 2-fluoro-4-(methanesulfonyl)phenol (398456-87-6)

Guidance literature:

4-bromo-2-fluorophenol; sodium methansulfinate; With N,N,N,N,-tetramethylethylenediamine; dimethyl sulfoxide; copper (I) trifluoromethane sulfonate benzene; at 130 - 135 ℃; for 18h;

With hydrogenchloride; In water; ethyl acetate; pH=< 3;

With hydrogenchloride; sodium hydroxide; more than 3 stages;

Reference yield:

2-fluoro-1-methoxy-4-(methylsulfanyl)benzene (66624-36-0) → 2-fluoro-4-(methanesulfonyl)phenol (398456-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 20 °C

2: boron tribromide / dichloromethane / 12 h / -78 - 20 °C

With boron tribromide; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

upstream raw materials:

2-fluoro-1-methoxy-4-(methylsulfonyl)benzene

4-bromo-2-fluorophenol

sodium methansulfinate

2-fluoro-1-methoxy-4-(methylsulfanyl)benzene

Downstream raw materials:

trifluoromethanesulfonic acid 2-fluoro-4-(methylsulfonyl)phenyl ester

C₂₄H₃₀FN₃O₇S

4-[4-(2-fluoro-4-methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

4-(2-fluoro-4-methanesulfonyl-phenoxy)-1-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidine