Benzenesulfonamide, 2,4-dichloro-N-(3,5-dichloro-4-(3-quinolinyloxy)phenyl)-

Base Information

• Chemical Name: Benzenesulfonamide, 2,4-dichloro-N-(3,5-dichloro-4-(3-quinolinyloxy)phenyl)-
• CAS No.: 315224-26-1
• Molecular Formula: C21H12Cl4N2O3S
• Molecular Weight: 514.216
• UNII: E7ILQ6U50J
• Nikkaji Number: J2.698.725C
• Wikidata: Q27276976
• NCI Thesaurus Code: C179089
• Pharos Ligand ID: S3UQPK513NF7
• Metabolomics Workbench ID: 149494
• ChEMBL ID: CHEMBL1236924
• Mol file: 315224-26-1.mol

Synonyms:AMG 131;AMG-131;AMG131;INT 131;INT-131;INT131;T 0903131;T 131 cpd;T-0903131;T-131 cpd;T0903131;T131 cpd

Chemical Property of Benzenesulfonamide, 2,4-dichloro-N-(3,5-dichloro-4-(3-quinolinyloxy)phenyl)-

Chemical Property:

• Boiling Point: 611.8±65.0 °C(Predicted)
• PKA: 5.30±0.10(Predicted)
• PSA: 117.13000
• Density: 1.585±0.06 g/cm3(Predicted)
• LogP: 6.69970
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 513.929324
• Heavy Atom Count: 31
• Complexity: 697

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=N2)OC3=C(C=C(C=C3Cl)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)Cl

Technology Process of Benzenesulfonamide, 2,4-dichloro-N-(3,5-dichloro-4-(3-quinolinyloxy)phenyl)-

There total 5 articles about Benzenesulfonamide, 2,4-dichloro-N-(3,5-dichloro-4-(3-quinolinyloxy)phenyl)- 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:

3,5-dichloro-4-(quinolin-3-yloxy)aniline (315228-24-1) + 2,4-Dichlorobenzenesulfonyl chloride (16271-33-3) → 2,4-dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (315224-26-1)

Guidance literature:

Product distribution / selectivity;

Reference yield:

3-(2,6-dichloro-4-nitrophenoxy)quinoline (315228-23-0) → 2,4-dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (315224-26-1)

Guidance literature:

Multi-step reaction with 2 steps

1: stannous chloride hydrate / ethyl acetate / Reflux

2: pyridine / dichloromethane / 25 - 60 °C

With pyridine; stannous chloride hydrate; In dichloromethane; ethyl acetate;

DOI:10.1016/j.bmc.2012.11.058

Reference yield:

3,4,5-trichloronitrobenzen (20098-48-0) → 2,4-dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (315224-26-1)

Guidance literature:

Multi-step reaction with 3 steps

1: caesium carbonate / N,N-dimethyl-formamide / 25 - 70 °C

2: stannous chloride hydrate / ethyl acetate / Reflux

3: pyridine / dichloromethane / 25 - 60 °C

With pyridine; stannous chloride hydrate; caesium carbonate; In dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2012.11.058

upstream raw materials:

3,5-dichloro-4-(quinolin-3-yloxy)aniline

2,4-Dichlorobenzenesulfonyl chloride

3-(2,6-dichloro-4-nitrophenoxy)quinoline

3,4,5-trichloronitrobenzen

Downstream raw materials:

C₇H₈O₃S*C₂₁H₁₂Cl₄N₂O₃S

BrH*C₂₁H₁₂Cl₄N₂O₃S

2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)-phenyl]-benzenesulfonamide benzenesulfonate salt