Methanesulfonamide, N-(4-(9-acridinylamino)-3-(dimethylamino)phenyl)-

Base Information

• Chemical Name: Methanesulfonamide, N-(4-(9-acridinylamino)-3-(dimethylamino)phenyl)-
• CAS No.: 88412-94-6
• Molecular Formula: C22H22 N4 O2 S
• Molecular Weight: 406.508
• DSSTox Substance ID: DTXSID80237034
• Wikidata: Q83119120
• ChEMBL ID: CHEMBL41451
• Mol file: 88412-94-6.mol

Synonyms:Methanesulfonamide, N-(4-(9-acridinylamino)-3-(dimethylamino)phenyl)-;88412-94-6;CHEMBL41451;DTXSID80237034;N-(4-(9-Acridinylamino)-3-(dimethylamino)phenyl)methanesulfonamide

Chemical Property of Methanesulfonamide, N-(4-(9-acridinylamino)-3-(dimethylamino)phenyl)-

Chemical Property:

• Vapor Pressure: 4.32E-13mmHg at 25°C
• Boiling Point: 572°C at 760 mmHg
• Flash Point: 299.7°C
• PSA: 85.94000
• Density: 1.376g/cm³
• LogP: 5.14480
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 406.14634713
• Heavy Atom Count: 29
• Complexity: 628

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42

Technology Process of Methanesulfonamide, N-(4-(9-acridinylamino)-3-(dimethylamino)phenyl)-

There total 4 articles about Methanesulfonamide, N-(4-(9-acridinylamino)-3-(dimethylamino)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-chloro-4-nitroaniline (825-41-2) → 9-(2-dimethylamino-4-methylsulphonylaminoanilino)acridinium (88412-94-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 82 percent / pyridine / 1,2-dimethoxy-ethane / 1.) 20 deg C, 1 h, 2.) 100 deg C, 30 min

2: H₂O / 12 h / 100 °C

3: H₂ / Pd/C / methanol

4: acid

With pyridine; hydrogen; palladium on activated charcoal; In methanol; 1,2-dimethoxyethane; water;

DOI:10.1021/jm00369a022

Reference yield:

N-(3-chloro-4-nitrophenyl)methanesulfonamide (57165-02-3) → 9-(2-dimethylamino-4-methylsulphonylaminoanilino)acridinium (88412-94-6)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂O / 12 h / 100 °C

2: H₂ / Pd/C / methanol

3: acid

With hydrogen; palladium on activated charcoal; In methanol; water;

DOI:10.1021/jm00369a022

Reference yield:

3'-(dimethylamino)-4'-nitromethanesulfonanilide (88413-20-1) → 9-(2-dimethylamino-4-methylsulphonylaminoanilino)acridinium (88412-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / methanol

2: acid

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/jm00369a022

upstream raw materials:

9-Chloroacridine

4'-amino-3'-(dimethylamino)methanesulfonanilide

3-chloro-4-nitroaniline

N-(3-chloro-4-nitrophenyl)methanesulfonamide

Downstream raw materials:

N^1'-(methylsulfonyl)-N^4'-9-acridinyl-3'-(dimethylamino)-2',5'-cyclohexadiene-1',4'-diimine

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