2-Bromophenyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2-Bromophenyl 4-methylbenzenesulfonate
• CAS No.: 84672-48-0
• Molecular Formula: C13H11 Br O3 S
• Molecular Weight: 327.199
• NSC Number: 95721
• DSSTox Substance ID: DTXSID50294290
• Nikkaji Number: J1.381.592E
• Wikidata: Q82033514
• Mol file: 84672-48-0.mol

Synonyms:84672-48-0;2-Bromophenyl p-Toluenesulfonate;2-bromophenyl 4-methylbenzenesulfonate;(2-bromophenyl) 4-methylbenzenesulfonate;Phenol,2-bromo-, 1-(4-methylbenzenesulfonate);NSC95721;2-Bromophenyl Tosylate;p-Toluenesulfonic Acid 2-Bromophenyl Ester;SCHEMBL8132928;DTXSID50294290;2-bromophenyl4-methylbenzenesulfonate;MFCD19707445;NSC-95721;BS-44141;2-bromophenyl 4-methylbenzene-1-sulfonate;B4528;CS-0196440;T71383;EN300-7116365

Chemical Property of 2-Bromophenyl 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 2.76E-07mmHg at 25°C
• Melting Point: 74.0 to 78.0 °C
• Boiling Point: 432.6°Cat760mmHg
• Flash Point: 215.5°C
• PSA: 51.75000
• Density: 1.517g/cm³
• LogP: 4.60600
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 325.96123
• Heavy Atom Count: 18
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

2-Bromophenyl p-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Br

Technology Process of 2-Bromophenyl 4-methylbenzenesulfonate

There total 1 articles about 2-Bromophenyl 4-methylbenzenesulfonate 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: 93.0%

2-hydroxybromobenzene (95-56-7) + p-toluenesulfonyl chloride (98-59-9) → 2-bromophenyl 4-methylbenzenesulfonate (84672-48-0)

Guidance literature:

With triethylamine; In dichloromethane; for 2h; Ambient temperature;

Reference yield: 99.0%

diphenylmethylsilanecarboxylic acid (18414-58-9) + 2-bromophenyl 4-methylbenzenesulfonate (84672-48-0) → 4-carboxyphenyl 4-methylbenzenesulfonate (51804-15-0)

Guidance literature:

With lithium trimethylsilanolate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 16h; Inert atmosphere; Glovebox;

DOI:10.1021/ol4003465

Reference yield: 80.0%

2-bromophenyl 4-methylbenzenesulfonate (84672-48-0) → 2-bromo-4-[(4-methylphenyl)sulfonyl]phenol

Guidance literature:

With methanesulfonic acid; pyrographite; at 120 ℃; for 1h;

DOI:10.1002/hlca.200490295

upstream raw materials:

2-hydroxybromobenzene

p-toluenesulfonyl chloride

Downstream raw materials:

(9s,10s)-9,10-diphenyl-9,10-dihydro-9,10-epoxyanthracene

1-(3-hydroxy-3-methylbutynyl)-2-tosyloxybenzene

2-(α-methylvinyl)benzofuran

2-(1-methyl-1-hydroxyethyl)benzofuran

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