4-(Methylsulfonyl)phenol

Base Information

• Chemical Name: 4-(Methylsulfonyl)phenol
• CAS No.: 14763-60-1
• Molecular Formula: C7H8O3S
• Molecular Weight: 172.205
• Hs Code.: 29309090
• European Community (EC) Number: 632-596-9
• UNII: F7BIF7ZQJ9
• DSSTox Substance ID: DTXSID80163763
• Nikkaji Number: J135.917G
• Wikidata: Q27277760
• ChEMBL ID: CHEMBL66861
• Mol file: 14763-60-1.mol

Synonyms:4-(Methylsulfonyl)phenol;14763-60-1;4-methylsulfonylphenol;4-Hydroxyphenyl methyl sulfone;phenol, 4-(methylsulfonyl)-;4-methanesulfonylphenol;4-Methanesulfonyl-phenol;Phenol, p-(methylsulfonyl)-;4-methylsulphonylphenol;p-(Methylsulfonyl)phenol;p-Hydroxyphenyl methyl sulfone;4-methylsulfonyl phenol;UNII-F7BIF7ZQJ9;4-(methanesulfonyl)phenol;4-(methylsulphonyl)phenol;F7BIF7ZQJ9;CHEMBL66861;MFCD00047806;ELAIDICANHYDRIDE;p-methylsulphonylphenol;4-methylsulfonyl-phenol;p-methyl sulfonyl phenol;4-(methylsulfonyl) phenol;4-(Methylsulfonyl)-phenol;SCHEMBL1535;P-(METHANESULFONYL)PHENOL;DTXSID80163763;BDBM50266956;STK505595;AKOS005171779;AB02067;AC-1241;CS-W004825;PS-3171;BP-10814;SY007820;LS-104967;AM20061098;FT-0637135;H1367;4-(Methylsulfonyl)phenol, analytical standard;EN300-23056;O11094;AE-848/33833060;J-008378;J-515826;Q27277760;Z147646800;BENZENE,1-HYDROXY,4-METHYLSULFONYL (PHENOL,4-METHYLSULFONYL)

Chemical Property of 4-(Methylsulfonyl)phenol

Chemical Property:

• Appearance/Colour: Tan to pink-brown powder
• Vapor Pressure: 6.76E-05mmHg at 25°C
• Melting Point: 90-95 °C
• Refractive Index: 1.551
• Boiling Point: 380.5 °C at 760 mmHg
• PKA: pK1:7.83 (25°C)
• Flash Point: 183.9 °C
• PSA: 62.75000
• Density: 1.328 g/cm³
• LogP: 1.87650
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO, Methanol
• Water Solubility.: slight
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.01941529
• Heavy Atom Count: 11
• Complexity: 206

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Methylsulfonyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)O
• Uses: 4-(Methylsulfonyl)phenol is a reagent in the synthesis of pyrazolo[3,4-d]pyrimidine derivatives as GPR119 agonists. Also a reagent in the synthesis of novel 2-(pyridine-2-yl)-1H-benzimidazole derivatives as potent glucokinase activators.

Technology Process of 4-(Methylsulfonyl)phenol

There total 24 articles about 4-(Methylsulfonyl)phenol 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: 99.0%

4-bromoohenyl methyl sulfone (3466-32-8) → 4-methanesulfonyl-phenol (14763-60-1)

Guidance literature:

With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; boric acid; palladium diacetate; caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03069

Reference yield: 96.0%

4-hydroxythioanisole (1073-72-9) → 4-methanesulfonyl-phenol (14763-60-1)

Guidance literature:

With Oxone; In ethanol; water; at 20 ℃; for 18h;

Reference yield: 93.0%

p-Iodophenol (540-38-5) + sodium methansulfinate (20277-69-4) → 4-methanesulfonyl-phenol (14763-60-1)

Guidance literature:

With copper(l) iodide; sodium L-prolinate; In dimethyl sulfoxide; at 80 ℃; for 24h;

DOI:10.1021/jo047758b

upstream raw materials:

p-anisyl methyl sulfone

4-methylsulfanyl(methylcarbonyloxy)benzene

4-chlorophenyl methyl sulfone

4-hydroxythioanisole

Downstream raw materials:

sulfurous acid bis-(4-methanesulfonyl-phenyl ester)

4-(methylsulfonyl)phenyl acetate

C₈H₇NO₆S₂

2-Chloro-6-(4-methanesulfonyl-phenoxy)-benzonitrile

Refernces

• 1、 Zhao, Bin,Hammond, Gerald B.,Xu, Bo. "Modulation of photochemical oxidation of thioethers to sulfoxides or sulfones using an aromatic ketone as the photocatalyst". supporting information. . Retrieved 2021/09/13.
• 2、 -. "COMPOSITES, METHODS AND USES THEREOF". Page/Page column 22-23. . Retrieved 2021/06/04.