Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-

Base Information

• Chemical Name: Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-
• CAS No.: 26868-32-6
• Molecular Formula: C21H15 Br N2 O4 S
• Molecular Weight: 471.331
• European Community (EC) Number: 248-077-1
• DSSTox Substance ID: DTXSID0067264
• Nikkaji Number: J249.073K
• Wikidata: Q81993842
• Mol file: 26868-32-6.mol

Synonyms:26868-32-6;EINECS 248-077-1;1-Amino-2-bromo-4-(4-toluenesulfonamido)anthraquinone;Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-;N-(4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)-4-methylbenzenesulphonamide;Benzenesulfonamide,N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-;DTXSID0067264;SCHEMBL11078073;C21-H15-Br-N2-O4-S;N-(4-Amino-3-bromo 9,10-dioxo-1-anthracenyl)-4-methylbenzenesulfonamide

Chemical Property of Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-

Chemical Property:

• Vapor Pressure: 1.36E-18mmHg at 25°C
• Boiling Point: 684.6°Cat760mmHg
• PKA: 8.02±0.20(Predicted)
• Flash Point: 367.8°C
• PSA: 114.71000
• Density: 1.665g/cm³
• LogP: 5.65090
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 469.99359
• Heavy Atom Count: 29
• Complexity: 759

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

Technology Process of Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-

There total 2 articles about Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl- 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:

1-amino-2, 4-dibromoanthraquinone (81-49-2) + toluene-4-sulfonamide (70-55-3) → 1-amino-2-bromo-4-(toluene-4-sulfonylamino)-anthraquinone (26868-32-6)

Guidance literature:

With pentan-1-ol; potassium acetate; copper (I) acetate;

Reference yield:

1-amino-9,10-anthracenedione (82-45-1) → 1-amino-2-bromo-4-(toluene-4-sulfonylamino)-anthraquinone (26868-32-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; bromine / 23 h / 0 - 60 °C

2: copper diacetate; potassium acetate / pentan-1-ol / 10 h / Reflux

With sulfuric acid; bromine; potassium acetate; copper diacetate; In pentan-1-ol;

Reference yield:

4-acetamido-3-methylphenol (39495-15-3) + 1-amino-2-bromo-4-(toluene-4-sulfonylamino)-anthraquinone (26868-32-6) → N-{4-[1-Amino-9,10-dioxo-4-(toluene-4-sulfonylamino)-9,10-dihydro-anthracen-2-yloxy]-2-methyl-phenyl}-acetamide (38920-16-0)

Guidance literature:

Multistep reaction; (i) K₂CO₃, (ii) /BRN= 3497597/;

upstream raw materials:

1-amino-2, 4-dibromoanthraquinone

toluene-4-sulfonamide

1-amino-9,10-anthracenedione

Downstream raw materials:

1,4-diamino-2-bromo-anthraquinone

furan-2,5-dicarboxylic acid bis-[2-bromo-9,10-dioxo-4-(toluene-4-sulfonylamino)-9,10-dihydro-[1]anthrylamide]

N-{4-[1-Amino-9,10-dioxo-4-(toluene-4-sulfonylamino)-9,10-dihydro-anthracen-2-yloxy]-2-methyl-phenyl}-acetamide

N-{3-[1-Amino-9,10-dioxo-4-(toluene-4-sulfonylamino)-9,10-dihydro-anthracen-2-yloxy]-4-chloro-phenyl}-acetamide