3-Formylphenyl benzenesulfonate

Base Information

• Chemical Name: 3-Formylphenyl benzenesulfonate
• CAS No.: 13493-49-7
• Molecular Formula: C₁₃H₁₀O₄S
• Molecular Weight: 262.286
• DSSTox Substance ID: DTXSID301294843
• Mol file: 13493-49-7.mol

Synonyms:3-formylphenyl benzenesulfonate;13493-49-7;(3-formylphenyl) benzenesulfonate;3-formylphenyl 1-benzenesulfonate;DTXSID301294843;3-[(Phenylsulfonyl)oxy]benzaldehyde;AKOS000295098;VS-07914

Chemical Property of 3-Formylphenyl benzenesulfonate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.02997997
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Formylphenyl benzenesulfonate

There total 5 articles about 3-Formylphenyl benzenesulfonate 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: 98.0%

meta-hydroxybenzaldehyde (100-83-4) + benzenesulfonyl chloride (98-09-9) → 3-benzenesulfonyloxy-benzaldehyde (13493-49-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 6h; Inert atmosphere;

DOI:10.1080/00397911.2017.1393088

Reference yield:

benzenesulfonic acid m-tolyl ester (41480-07-3) → 3-benzenesulfonyloxy-benzaldehyde (13493-49-7)

Guidance literature:

With manganese(IV) oxide; sulfuric acid;

Reference yield:

3-methyl-phenol (108-39-4) → 3-benzenesulfonyloxy-benzaldehyde (13493-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: alkali

2: manganese(IV) oxide; sulfuric acid

With manganese(IV) oxide; sulfuric acid;

upstream raw materials:

benzenesulfonic acid m-tolyl ester

meta-hydroxybenzaldehyde

benzenesulfonyl chloride

3-methyl-phenol

Downstream raw materials:

meta-hydroxybenzaldehyde

Refernces