2,6-Dimethylstyrylphenyl sulfone

Base Information

• Chemical Name: 2,6-Dimethylstyrylphenyl sulfone
• CAS No.: 30166-78-0
• Molecular Formula: C16H16 O2 S
• Molecular Weight: 272.362
• NSC Number: 140156
• DSSTox Substance ID: DTXSID50419249
• Nikkaji Number: J2.046.659F
• Wikidata: Q82230195
• ChEMBL ID: CHEMBL489703
• Mol file: 30166-78-0.mol

Synonyms:NSC140156;30166-78-0;CHEMBL489703;2,6-Dimethylstyrylphenyl sulfone;DTXSID50419249;NSC-140156

Chemical Property of 2,6-Dimethylstyrylphenyl sulfone

Chemical Property:

• Vapor Pressure: 6.7E-08mmHg at 25°C
• Boiling Point: 451.1°Cat760mmHg
• Flash Point: 275.5°C
• Density: 1.17g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 272.08710092
• Heavy Atom Count: 19
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)C=CS(=O)(=O)C2=CC=CC=C2
• Isomeric SMILES: CC1=C(C(=CC=C1)C)/C=C/S(=O)(=O)C2=CC=CC=C2

Technology Process of 2,6-Dimethylstyrylphenyl sulfone

There total 2 articles about 2,6-Dimethylstyrylphenyl sulfone 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: 74.0%

PVS (5535-48-8) + 2,6-dimethylbenzene boronic acid (100379-00-8) → trans-1-(2,6-Dimethylphenyl)-2-benzolsulfonylethen (30166-78-0)

Guidance literature:

With oxygen; sodium carbonate; palladium diacetate; In N,N-dimethyl-formamide; at 60 ℃; for 18h;

DOI:10.1016/j.tetlet.2004.03.179

Reference yield:

→ trans-1-(2,6-Dimethylphenyl)-2-benzolsulfonylethen (30166-78-0)

Guidance literature:

2,4-Me2-C6H3-CH(Cl)-CH2-SO2Ph, NEt3;

DOI:10.1021/jo00816a033

Reference yield:

trans-1-(2,6-Dimethylphenyl)-2-benzolsulfonylethen (30166-78-0) + trimethylsulphonium iodide (2181-42-2) → 2-((1R,2S)-2-Benzenesulfonyl-cyclopropyl)-1,3-dimethyl-benzene

Guidance literature:

With potassium tert-butylate;

DOI:10.1021/jo01263a022

upstream raw materials:

PVS

2,6-dimethylbenzene boronic acid

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