Phenol, 4,4'-sulfonylbis[2,6-dimethyl-

Base Information

• Chemical Name: Phenol, 4,4'-sulfonylbis[2,6-dimethyl-
• CAS No.: 13288-70-5
• Molecular Formula: C16H18 O4 S
• Molecular Weight: 306.383
• Hs Code.: 2908999090
• European Community (EC) Number: 603-686-5
• DSSTox Substance ID: DTXSID6065399
• Nikkaji Number: J164.509I
• Wikidata: Q81992186
• Mol file: 13288-70-5.mol

Synonyms:13288-70-5;Bis(4-hydroxy-3,5-dimethylphenyl) Sulfone;Phenol, 4,4'-sulfonylbis[2,6-dimethyl-;4,4'-Sulfonylbis(2,6-dimethylphenol);BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)SULFONE;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;Bis(3,5-dimethyl-4-hydroxyphenyl) Sulfone;Phenol, 4,4'-sulfonylbis(2,6-dimethyl-;SCHEMBL142565;DTXSID6065399;C16H18O4S;MFCD00036032;AKOS015856271;BS-43872;B1577;CS-0435515;FT-0705230;D88830;4-(4-hydroxy-3,5-dimethylbenzenesulfonyl)-2,6-dimethylphenol

Chemical Property of Phenol, 4,4'-sulfonylbis[2,6-dimethyl-

Chemical Property:

• Melting Point: 297 °C
• Boiling Point: 535°Cat760mmHg
• Flash Point: 277.3°C
• PSA: 82.98000
• Density: 1.277g/cm³
• LogP: 4.24500
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 306.09258022
• Heavy Atom Count: 21
• Complexity: 395

Purity/Quality:

98% ^*data from raw suppliers

Bis(4-hydroxy-3,5-dimethylphenyl) Sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)C)S(=O)(=O)C2=CC(=C(C(=C2)C)O)C
• Uses: Bis(4-hydroxy-3,5-dimethylphenyl) Sulfone is used in preparation and properties of novel alternating poly(aryl ether ketone).

Technology Process of Phenol, 4,4'-sulfonylbis[2,6-dimethyl-

There total 3 articles about Phenol, 4,4'-sulfonylbis[2,6-dimethyl- 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:

6-acetoxy-2,6-dimethyl-2,4-cyclohexadienone (7218-21-5) → bis-(3,5-dimethyl-4-hydroxyphenyl)-sulfone (13288-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaSH / methanol

2: (i) Et₃N, CH₂Cl₂, (ii) aq. H₂O₂, AcOH

With sodium hydrogensulfide; In methanol;

DOI:10.1007/BF00903170

Reference yield:

6-acetoxy-2,6-dimethyl-2,4-cyclohexadienone (7218-21-5) + 3,5-Dimethyl-4-hydroxy-thiophenol (43132-86-1) → bis-(3,5-dimethyl-4-hydroxyphenyl)-sulfone (13288-70-5)

Guidance literature:

Multistep reaction; (i) Et₃N, CH₂Cl₂, (ii) aq. H₂O₂, AcOH;

DOI:10.1007/BF00903170

Reference yield:

→ bis-(3,5-dimethyl-4-hydroxyphenyl)-sulfone (13288-70-5)

Guidance literature:

2,6-Xylenol, H2SO4;

upstream raw materials:

6-acetoxy-2,6-dimethyl-2,4-cyclohexadienone

3,5-Dimethyl-4-hydroxy-thiophenol

Refernces

• 1、 -. "Bischoloroformate preparation method with phosgene removal and monochloroformate conversion". . . Retrieved 2008/06/13.
• 2、 -. "Dihydric phenols". . . Retrieved 2008/06/13.