(4-Bromophenyl) 4-methylbenzenesulfonate

Base Information

• Chemical Name: (4-Bromophenyl) 4-methylbenzenesulfonate
• CAS No.: 6324-15-8
• Molecular Formula: C13H11BrO3S
• Molecular Weight: 327.199
• NSC Number: 29106
• DSSTox Substance ID: DTXSID80283011
• Nikkaji Number: J1.311.129D
• Wikidata: Q82017433

Synonyms:6324-15-8;(4-bromophenyl) 4-methylbenzenesulfonate;NSC 29106;4-BROMOPHENYL 4-METHYLBENZENE-1-SULFONATE;Phenol, p-bromo-, p-toluene-sulfonate;NSC29106;1-Bromo-4-(tosyloxy)benzene;p-bromophenyl p-toluenesulfonate;SCHEMBL4195648;4-bromophenyl 4-toluenesulfonate;DTXSID80283011;NSC-29106;(4-bromophenyl)4-methylbenzenesulfonate;F70453;EN300-7245321

Chemical Property of (4-Bromophenyl) 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 3.22E-07mmHg at 25°C
• Boiling Point: 430.6°C at 760 mmHg
• Flash Point: 214.2°C
• Density: 1.517g/cm³
• 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: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Br

Technology Process of (4-Bromophenyl) 4-methylbenzenesulfonate

There total 7 articles about (4-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: 95.0%

4-bromo-phenol (106-41-2) + C14H19N2O2S(1+)*F6P(1-) → toluene-4-sulfonic acid 4-bromo-phenyl ester (6324-15-8)

Guidance literature:

With DBN; In acetonitrile; at 80 ℃; for 4h;

DOI:10.1039/c6ob01854h

Reference yield: 93.0%

4-bromo-phenol (106-41-2) + sodium 4-methylbenzenesulfinate (824-79-3) → toluene-4-sulfonic acid 4-bromo-phenyl ester (6324-15-8)

Guidance literature:

With iodine; potassium carbonate; In methanol; at 20 ℃; for 5h; Green chemistry;

DOI:10.1039/c5ra00724k

Reference yield: 92.0%

4-bromo-phenol (106-41-2) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid 4-bromo-phenyl ester (6324-15-8)

Guidance literature:

With caesium carbonate; In acetonitrile; at 25 ℃; for 0.366667h;

DOI:10.1080/10426507.2010.544271

upstream raw materials:

4-bromo-phenol

p-toluenesulfonyl chloride

2,4-dibromophenyl 4-methylbenzenesulfonate

sodium 4-methylbenzenesulfinate

Downstream raw materials:

4-carboxyphenyl 4-methylbenzenesulfonate

4′-methoxy-[1,1′-biphenyl]-4-yl 4-methylbenzenesulfonate

2',3',4',5',6'-pentafluorobiphenyl-4-yl 4-methylbenzenesulfonate

4-(pyridin-2-ylmethyl)phenyl 4-methylbenzenesulfonate

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