m,m'-Sulphonylbisphenol

Base Information

• Chemical Name: m,m'-Sulphonylbisphenol
• CAS No.: 46765-03-1
• Molecular Formula: C12H10O4S
• Molecular Weight: 250.275
• European Community (EC) Number: 256-278-0
• DSSTox Substance ID: DTXSID90963655
• Nikkaji Number: J31.810H
• Wikidata: Q82945533
• Mol file: 46765-03-1.mol

Synonyms:m,m'-Sulphonylbisphenol;46765-03-1;3-(3-hydroxyphenyl)sulfonylphenol;EINECS 256-278-0;Phenol, 3,3'-sulfonylbis-;3,3'-Dihydroxy diphenyl sulfone;3,3'-Sulfonyldiphenol;SCHEMBL69135;DTXSID90963655;OQYYLPLRBBDFLA-UHFFFAOYSA-N;AKOS015961069;AC-12727;NS00058123

Chemical Property of m,m'-Sulphonylbisphenol

Chemical Property:

• Melting Point: 245-250 °C(lit.)
• Boiling Point: 533 °C at 760 mmHg
• PKA: 8.16±0.10(Predicted)
• Flash Point: 276.2 °C
• PSA: 82.98000
• Density: 1.433 g/cm³
• LogP: 3.01140
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.02997997
• Heavy Atom Count: 17
• Complexity: 318

Purity/Quality:

98.00% ^*data from raw suppliers

3,3'-DIHYDROXY DIPHENYL SULFONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)O)O

Technology Process of m,m'-Sulphonylbisphenol

There total 4 articles about m,m'-Sulphonylbisphenol 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: 59.0%

3-Bromophenol (591-20-8) → 3,3'-sulfonyldiphenol (46765-03-1)

Guidance literature:

With potassium pyrosulfite; palladium diacetate; N-ethyl-N,N-diisopropylamine; tri tert-butylphosphoniumtetrafluoroborate; In N,N-dimethyl-formamide; at 100 ℃; for 20h; Inert atmosphere;

DOI:10.1246/cl.190300

Reference yield:

3,3'-sulfonylbis(methoxybenzene) (873412-80-7) → 3,3'-sulfonyldiphenol (46765-03-1)

Guidance literature:

With aluminium trichloride; xylene;

Reference yield:

1-methoxy-3-[(3-methoxyphenyl)sulfanyl]benzene (134953-13-2) → 3,3'-sulfonyldiphenol (46765-03-1)

Guidance literature:

Multi-step reaction with 2 steps

1: KMnO₄; glacial acetic acid

2: AlCl₃; xylene

With potassium permanganate; aluminium trichloride; acetic acid; xylene;

upstream raw materials:

3,3'-diaminodiphenyl sulfone

3,3'-sulfonylbis(methoxybenzene)

1-methoxy-3-[(3-methoxyphenyl)sulfanyl]benzene

3-Bromophenol

Downstream raw materials:

3,3'-sulfonylbis(methoxybenzene)

Refernces