N-(9,10-Dioxo-1-anthryl)benzamide

Base Information

• Chemical Name: N-(9,10-Dioxo-1-anthryl)benzamide
• CAS No.: 3571-23-1
• Molecular Formula: C21H13 N O3
• Molecular Weight: 327.339
• European Community (EC) Number: 222-674-7
• NSC Number: 97306
• UNII: 5RJE2CGX7R
• DSSTox Substance ID: DTXSID00189228
• Nikkaji Number: J29.731C
• Wikidata: Q83061220
• Mol file: 3571-23-1.mol

Synonyms:3571-23-1;1-Benzoylaminoanthraquinone;N-(9,10-Dioxo-1-anthryl)benzamide;5RJE2CGX7R;Benzamide, N-1-anthraquinonyl-;EINECS 222-674-7;NSC-97306;Benzamide, N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-;Algol Yellow G;1-Benzamidoanthraquinone;N-(9,10-dioxoanthracen-1-yl)benzamide;Algol Yellow WG;benzoylaminoanthraquinone;UNII-5RJE2CGX7R;Anthraquinone, 1-benzamido-;SCHEMBL4622432;DTXSID00189228;NSC97306;C21-H13-N-O3;NSC 97306;AKOS000592632;C.I.60515;C.I. 60515;N-(9,10-Dihydro-9,10-dioxo-1-anthracenyl)benzamide

Chemical Property of N-(9,10-Dioxo-1-anthryl)benzamide

Chemical Property:

• Vapor Pressure: 5.37E-09mmHg at 25°C
• Boiling Point: 469.7°Cat760mmHg
• Flash Point: 164.6°C
• PSA: 63.24000
• Density: 1.375g/cm³
• LogP: 3.78730
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 327.08954328
• Heavy Atom Count: 25
• Complexity: 551

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Technology Process of N-(9,10-Dioxo-1-anthryl)benzamide

There total 10 articles about N-(9,10-Dioxo-1-anthryl)benzamide 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%

1-amino-9,10-anthracenedione (82-45-1) + benzoic acid (65-85-0,8013-63-6) → N-(9,10-dioxo-9,10-dihydro-[1]anthryl)-benzamide (3571-23-1)

Guidance literature:

With tetrabutoxytitanium; In various solvent(s); at 213 ℃; for 23h;

Reference yield: 89.0%

1-amino-9,10-anthracenedione (82-45-1) + benzoyl chloride (98-88-4) → N-(9,10-dioxo-9,10-dihydro-[1]anthryl)-benzamide (3571-23-1)

Guidance literature:

for 0.0666667h; microwave irradiation;

DOI:10.1007/s11178-008-3008-1

Reference yield:

1-chloroanthracene-9,10-dione (82-44-0) + benzamide (55-21-0,27208-38-4) → N-(9,10-dioxo-9,10-dihydro-[1]anthryl)-benzamide (3571-23-1)

Guidance literature:

With potassium carbonate; 1,2-dichloro-benzene; copper(I) bromide; at 170 ℃;

upstream raw materials:

1-chloroanthracene-9,10-dione

benzamide

1-Bromoanthraquinone

1-amino-9,10-anthracenedione

Downstream raw materials:

4-bromo-1-benzoylaminoanthraquinone

N-(9,10-dihydroxy-[1]anthryl)-benzamide

1-benzamido-4-chloroanthraquinone

1-benzoylamino-4-(s-butylamino)anthraquinone