1-Amino-5-benzoylaminoanthraquinone

Base Information

• Chemical Name: 1-Amino-5-benzoylaminoanthraquinone
• CAS No.: 117-06-6
• Molecular Formula: C21H14N2O3
• Molecular Weight: 342.354
• Hs Code.: 2924299090
• European Community (EC) Number: 204-169-3
• NSC Number: 13981
• UNII: S9H2H4BM68
• DSSTox Substance ID: DTXSID6059445
• Nikkaji Number: J193.615H
• Wikidata: Q72438113
• Mol file: 117-06-6.mol

Synonyms:1-Amino-5-benzoylaminoanthraquinone;117-06-6;1-Amino-5-benzamidoanthraquinone;1-Benzamido-5-aminoanthraquinone;5-Benzamido-1-aminoanthraquinone;N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide;Anthraquinone, 1-amino-5-benzamido-;N-(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide;Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-;Benzamide, N-(5-amino-1-anthraquinonyl)-;EINECS 204-169-3;NSC 13981;NSC-13981;NSC13981;S9H2H4BM68;SCHEMBL1982461;DTXSID6059445;1-Amino-5-benzoylaminoanthrachinon;1-amino-5-benzoylamino-anthraquinone;STK367475;AKOS001482345;CS-0367957;FT-0607333;AB00079346-01;W-108573;N-(5-Amino-9,10-dihydro-9,10-dioxoanthracen-1-yl)benzamide

Chemical Property of 1-Amino-5-benzoylaminoanthraquinone

Chemical Property:

• Appearance/Colour: white crystalline and tastes slightly bitter and astringent
• Vapor Pressure: 1.58E-11mmHg at 25°C
• Refractive Index: 1.746
• Boiling Point: 535.2 °C at 760 mmHg
• Flash Point: 277.5 °C
• PSA: 89.26000
• Density: 1.425g/cm³
• LogP: 3.95070
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 342.10044231
• Heavy Atom Count: 26
• Complexity: 584

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Amino-5-benzoylaminoanthraquinone ^*data from reagent 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=C(C3=O)C(=CC=C4)N

Technology Process of 1-Amino-5-benzoylaminoanthraquinone

There total 8 articles about 1-Amino-5-benzoylaminoanthraquinone 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:

1,5-diaminoanthraquinone (129-44-2) + benzoic acid anhydride (93-97-0) → 1,5-dibenzoylaminoanthraquinone (82-18-8) + 1-amino-5-benzamidoanthraquinone (117-06-6)

Guidance literature:

With nitrobenzene; at 175 ℃;

Reference yield:

1,5-diaminoanthraquinone (129-44-2) + benzoyl chloride (98-88-4) → 1-amino-5-benzamidoanthraquinone (117-06-6)

Guidance literature:

Reference yield:

1-benzoylamino-5-nitro-anthraquinone (62089-79-6) → 1-amino-5-benzamidoanthraquinone (117-06-6)

Guidance literature:

With sodium sulfide; water;

DOI:10.1002/hlca.19310140620

upstream raw materials:

1-benzoylamino-5-nitro-anthraquinone

1-benzoylamino-5-(toluene-4-sulfonylamino)-anthraquinone

1,5-diaminoanthraquinone

benzamide

Downstream raw materials:

8-benzoylamino-benzo[e]perimidin-7-one

N,N'-bis-(5-benzoylamino-9,10-dioxo-9,10-dihydro-[1]anthryl)-oxalamide

Refernces

• 1、 Yakovlev, Yu. Yu.,Nurmukhametov, R. N.,Barashkov, N. N.,Klimenko, V. G.. "Relation between the basicity and the rate constant for the acylation of aminoanthraquinones". . p. 110 - 111. Retrieved 2007/10/02.