4-Chlorobenzyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 4-Chlorobenzyl 4-methylbenzenesulfonate
• CAS No.: 4450-67-3
• Molecular Formula: C₁₄H₁₃ClO₃S
• Molecular Weight: 296.774
• DSSTox Substance ID: DTXSID601339614
• Nikkaji Number: J246.664C
• Mol file: 4450-67-3.mol

Synonyms:4-chlorobenzyl 4-methylbenzenesulfonate;4450-67-3;SCHEMBL5697490;CFNIWCJEUPNISN-UHFFFAOYSA-N;DTXSID601339614;EN300-6976855;(4-chlorophenyl)methyl 4-methylbenzene-1-sulfonate

Chemical Property of 4-Chlorobenzyl 4-methylbenzenesulfonate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 296.0273931
• Heavy Atom Count: 19
• Complexity: 361

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)Cl

Technology Process of 4-Chlorobenzyl 4-methylbenzenesulfonate

There total 4 articles about 4-Chlorobenzyl 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: 77.0%

p-toluenesulfonyl chloride (98-59-9) + para-Chlorobenzyl alcohol (873-76-7) → 4-chlorobenzyl 4-methylbenzenesulfonate (4450-67-3)

Guidance literature:

With sodium carbonate; In water; at 20 ℃; for 3h;

DOI:10.1039/c7nj00141j

Reference yield:

silver(I) 4-methylbenzenesulfonate (16836-95-6) → 4-chlorobenzyl 4-methylbenzenesulfonate (4450-67-3)

Guidance literature:

In acetonitrile; at 50 ℃; for 5h;

DOI:10.1002/chem.201500519

Reference yield:

silver(I) 4-methylbenzenesulfonate (16836-95-6) + 4-chlorobenzyl bromide (622-95-7) → 4-chlorobenzyl 4-methylbenzenesulfonate (4450-67-3)

Guidance literature:

DOI:10.1016/S0040-4020(01)96365-3

upstream raw materials:

p-toluenesulfonyl chloride

para-Chlorobenzyl alcohol

silver(I) 4-methylbenzenesulfonate

4-chlorobenzyl bromide

Downstream raw materials:

4-chlorobenzyl azide

1‐(4‐chlorobenzyl)‐4‐phenyl‐1H‐1,2,3‐triazole

4,4'-dichlorodiphenylmethane

1-bromo-4-(4-chlorobenzyl)benzene