2,6-dichlorobenzenesulfonic Acid

Base Information

• Chemical Name: 2,6-dichlorobenzenesulfonic Acid
• CAS No.: 6697-96-7
• Molecular Formula: C₆H₄Cl₂O₃S
• Molecular Weight: 227.068
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID30398785
• Wikidata: Q72465472
• Mol file: 6697-96-7.mol

Synonyms:2,6-dichlorobenzenesulfonic Acid;6697-96-7;2,6-Dichloro-benzenesulfonic acid;o-Sulfobenzoldichlorid;SCHEMBL440935;2,6-dichlorophenylsulfonic acid;DTXSID30398785;CVJVWHJVNYJTKA-UHFFFAOYSA-N;2,6-dichlorobenzene-1-sulfonic acid;AKOS015940089;AM101120;7-Oxocyclohepta-1,3,5-trienyl methacrylate;2,6-Dichlorobenzenesulfonic acid, AldrichCPR;2,6-DICHLOROBENZENESULFONIC ACID HYDRATE

Chemical Property of 2,6-dichlorobenzenesulfonic Acid

Chemical Property:

• PSA: 62.75000
• Density: 1.668
• LogP: 3.32090
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.9258205
• Heavy Atom Count: 12
• Complexity: 236

Purity/Quality:

98.5% ^*data from raw suppliers

2,6-DICHLORO-BENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)S(=O)(=O)O)Cl
• Uses: 2,6-Dichlorobenzenesulfonic Acid Hydrate is used in preparation of Pyrazolopyrimidines as cyclin-dependent kinase inhibitors.

Technology Process of 2,6-dichlorobenzenesulfonic Acid

There total 1 articles about 2,6-dichlorobenzenesulfonic Acid 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:

2,6-dichlorobenzenesulfonyl chloride (6579-54-0) → o-dichlorobenzenesulfonic acid (6697-96-7)

Guidance literature:

With lithium hydroxide; In methanol;

DOI:10.1016/j.bmcl.2006.12.067

Reference yield:

o-dichlorobenzenesulfonic acid (6697-96-7) → N-(2-methoxyethyl)-3-amino-6-chloro-2-hydroxybenzenesulfonamide (276702-39-7)

Guidance literature:

Multi-step reaction with 5 steps

1.1: H₂SO₄; HNO₃

2.1: KOH

2.2: POCl₃; PCl₅

3.1: Et₃N / CH₂Cl₂

4.1: NaH; H₂O / tetrahydrofuran

5.1: H₂ / Pt/C

With potassium hydroxide; sulfuric acid; water; hydrogen; nitric acid; sodium hydride; triethylamine; platinum on activated charcoal; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2006.12.067

Reference yield:

o-dichlorobenzenesulfonic acid (6697-96-7) → 6-amino-3-chloro-2-[(4-ethyl-1-piperazinyl)sulfonyl]phenol (934275-42-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: H₂SO₄; HNO₃

2.1: KOH

2.2: POCl₃; PCl₅

3.1: Et₃N / CH₂Cl₂

4.1: NaH; H₂O / tetrahydrofuran

5.1: H₂ / Pt/C

With potassium hydroxide; sulfuric acid; water; hydrogen; nitric acid; sodium hydride; triethylamine; platinum on activated charcoal; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2006.12.067

upstream raw materials:

2,6-dichlorobenzenesulfonyl chloride

Downstream raw materials:

2,6-dichloro-3-nitrobenzenesulfonic acid

2,6-dichloro-3-nitrobenzenesulfonyl chloride

N-(2-methoxyethyl)-3-amino-6-chloro-2-hydroxybenzenesulfonamide

6-chloro-2-hydroxy-N-(2-methoxy-ethyl)-3-nitro-benzenesulfonamide