(4-Iodophenyl) 4-methylbenzenesulfonate

Base Information

• Chemical Name: (4-Iodophenyl) 4-methylbenzenesulfonate
• CAS No.: 24962-55-8
• Molecular Formula: C13H11 I O3 S
• Molecular Weight: 374.199
• Hs Code.: 2906299090
• NSC Number: 173913
• DSSTox Substance ID: DTXSID60306050
• Nikkaji Number: J3.223.367H
• Wikidata: Q82052943
• Mol file: 24962-55-8.mol

Synonyms:24962-55-8;(4-iodophenyl) 4-methylbenzenesulfonate;4-iodophenyl 4-methylbenzenesulfonate;4-IODOPHENYL 4-METHYLPHENYLSULFONATE;Phenol, 4-iodo-, 1-(4-methylbenzenesulfonate);NSC173913;4-iodophenyl 4-methylbenzene-1-sulfonate;SCHEMBL3100955;DTXSID60306050;AKOS008009457;NSC-173913;4-IODOPHENYL4-METHYLPHENYLSULFONATE;Phenol,4-iodo-,1-(4-methylbenzenesulfonate);F70261;EN300-7118020;Z45436808

Chemical Property of (4-Iodophenyl) 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 1.02E-07mmHg at 25°C
• Melting Point: 99 °C
• Boiling Point: 445.6 ºC at 760 mmHg
• Flash Point: 223.3ºC
• PSA: 51.75000
• Density: 1.689 g/cm3
• LogP: 4.44810
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 373.94736
• Heavy Atom Count: 18
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

4-IODOPHENYL 4-METHYLPHENYLSULFONATE 95.00% ^*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=C(C=C2)I

Technology Process of (4-Iodophenyl) 4-methylbenzenesulfonate

There total 8 articles about (4-Iodophenyl) 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: 91.0%

p-Iodophenol (540-38-5) + sodium 4-methylbenzenesulfinate (824-79-3) → 4-hydroxybenzaldehyde 4-methylbenzenesulfonate ester (24962-55-8)

Guidance literature:

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

DOI:10.1039/c5ra00724k

Reference yield: 84.0%

p-Iodophenol (540-38-5) + p-toluenesulfonyl fluoride (455-16-3) → 4-hydroxybenzaldehyde 4-methylbenzenesulfonate ester (24962-55-8)

Guidance literature:

With caesium carbonate; In acetonitrile; at 23 ℃; for 2h;

DOI:10.1021/acs.joc.7b00051

Reference yield:

dimethyl (4-(p-toluenesulfonyloxy)phenyl)sulfonium trifluoromethanesulfonate → 1,2-Diiodobenzene (615-42-9) + 4-hydroxybenzaldehyde 4-methylbenzenesulfonate ester (24962-55-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.9-dimethyl-1,10-phenanthroline; nickel(II)-2,9-dimethyl-1,10-phenanthroline bromide / N,N-dimethyl acetamide / 24 h / 20 °C / Inert atmosphere; Schlenk technique

2: iodine / 0.08 h / Inert atmosphere

With 2.9-dimethyl-1,10-phenanthroline; nickel(II)-2,9-dimethyl-1,10-phenanthroline bromide; iodine; In N,N-dimethyl acetamide;

DOI:10.1021/acs.orglett.0c03782

upstream raw materials:

p-Iodophenol

sodium 4-methylbenzenesulfinate

p-toluenesulfonyl fluoride

4-hydroxythioanisole

Downstream raw materials:

4-(5-(1-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl)pent-1-ynyl)phenyl 4-methylbenzenesulfonate

di-tert-butyl 1-(4-(tosyloxy)phenyl)hydrazine-1,2-dicarboxylate

6-(4-toluenesulfonyloxy)-1,2,3,4-tetrahydrocarbazole

4,4'-(ethyne-1,2-diyl)bis(4,1-phenylene) bis(4-methylbenzenesulfonate)