Dimethyl 4,4'-sulphonyldibenzoate

Base Information

• Chemical Name: Dimethyl 4,4'-sulphonyldibenzoate
• CAS No.: 3965-53-5
• Molecular Formula: C16H14 O6 S
• Molecular Weight: 334.35
• Hs Code.: 2916399090
• European Community (EC) Number: 223-577-2
• DSSTox Substance ID: DTXSID00192757
• Nikkaji Number: J124.107I
• Wikidata: Q83065416
• Mol file: 3965-53-5.mol

Synonyms:3965-53-5;Dimethyl 4,4'-sulphonyldibenzoate;Dimethyl 4,4'-sulfonyldibenzoate;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;4,4'-Sulfonylbis(methyl benzoate);Benzoic acid, 4,4'-sulfonylbis-, dimethyl ester;Benzoic acid, 4,4'-sulfonyldi-, dimethyl ester;EINECS 223-577-2;SCHEMBL68518;C16H14O6S;DTXSID00192757;AKOS024364965;4,4'-Sulfonylbis(benzoic acid methyl) ester;FT-0712669;Benzoic acid, sulfonyl di-p,p'-dimethyl ester

Chemical Property of Dimethyl 4,4'-sulphonyldibenzoate

Chemical Property:

• Melting Point: 195-196 °C(lit.)
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 505.4°Cat760mmHg
• Flash Point: 259.5°C
• PSA: 95.12000
• Density: 1.318g/cm³
• LogP: 3.17340
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 334.05110934
• Heavy Atom Count: 23
• Complexity: 477

Purity/Quality:

98%Min ^*data from raw suppliers

DIMETHYLDIPHENYLSULFONE-4,4'-DICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: COC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC

Technology Process of Dimethyl 4,4'-sulphonyldibenzoate

There total 5 articles about Dimethyl 4,4'-sulphonyldibenzoate 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:

methanol (67-56-1) + bis(4-carboxyphenyl)sulfone (2449-35-6) → 4,4'-dicarbomethoxydiphenyl sulfone (3965-53-5)

Guidance literature:

With sulfuric acid;

Reference yield:

bis(4-methylphenyl) sulfone (599-66-6) → 4,4'-dicarbomethoxydiphenyl sulfone (3965-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: chromium (VI)-oxide; acetic acid

2: sulfuric acid

With chromium(VI) oxide; sulfuric acid; acetic acid;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + carbon dioxide (124-38-9,18923-20-1) + 4,4'-diiododiphenyl sulfone (40915-22-8) → 4,4'-dicarbomethoxydiphenyl sulfone (3965-53-5) + 4-iodo-4'-carbomethoxydiphenyl sulfone (110210-52-1)

Guidance literature:

Product distribution; further solvent ratio and reaction times in first step;

upstream raw materials:

methanol

bis(4-carboxyphenyl)sulfone

diazomethane

carbon dioxide

Downstream raw materials:

4,4'-sulfonyl-di-benzoic acid bis-(5-hydroxy-pentyl ester)

4,4'-sulfonyl-di-benzoic acid bis-(4-hydroxy-butyl ester)

N,N'-[4,4'-sulfonylbis(benzoyl)]-bis{4,4'-(p-fluorobenzyl)-1,2-dihydroisoquinaldonitrile}

p-{1-[4-(p-fluorobenzyl)isoquinolyl]carbonyl}diphenyl sulfone