Benzenemethanesulfonic acid, 4-chlorophenyl ester

Base Information

• Chemical Name: Benzenemethanesulfonic acid, 4-chlorophenyl ester
• CAS No.: 56620-21-4
• Molecular Formula: C13H11ClO3S
• Molecular Weight: 282.748
• DSSTox Substance ID: DTXSID80457033
• Nikkaji Number: J2.214.733A
• Wikidata: Q82279709
• Mol file: 56620-21-4.mol

Synonyms:Benzenemethanesulfonic acid, 4-chlorophenyl ester;56620-21-4;DTXSID80457033;Benzenemethanesulfonic acid 4-chlorophenyl ester

Chemical Property of Benzenemethanesulfonic acid, 4-chlorophenyl ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282.0117431
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)OC2=CC=C(C=C2)Cl

Technology Process of Benzenemethanesulfonic acid, 4-chlorophenyl ester

There total 2 articles about Benzenemethanesulfonic acid, 4-chlorophenyl ester 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: 82.0%

sodium α-toluenesulfinate (51793-64-7) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chlorophenylphenylmethane sulfonate (56620-21-4)

Guidance literature:

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

DOI:10.1039/c5ra00724k

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) + benzenesulfonyl chloride (1939-99-7) → 4-chlorophenylphenylmethane sulfonate (56620-21-4)

Guidance literature:

With pyridine; In chlorobenzene; at 29.9 ℃; Rate constant;

Reference yield: 79.0%

4-chlorophenylphenylmethane sulfonate (56620-21-4) → 4-chloro-phenol (106-48-9,82344-39-6)

Guidance literature:

With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1055/s-2005-869907

upstream raw materials:

4-chloro-phenol

benzenesulfonyl chloride

sodium α-toluenesulfinate

Downstream raw materials:

4-chloro-phenol