Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5h,14h)-tetrone

Base Information

• Chemical Name: Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5h,14h)-tetrone
• CAS No.: 4424-87-7
• Deprecated CAS: 151885-81-3,57455-84-2,57455-84-2
• Molecular Formula: C28H14N2O4
• Molecular Weight: 442.43
• Hs Code.: 2933990090
• European Community (EC) Number: 224-600-9
• DSSTox Substance ID: DTXSID0063448
• Nikkaji Number: J68.211J
• Wikidata: Q72516215
• Mol file: 4424-87-7.mol

Synonyms:4424-87-7;Vat Violet 13;benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5h,14h)-tetrone;EINECS 224-600-9;Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5H,14H)-tetraone;5,20-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-2,12,17,27-tetrone;Benzo(1,2-c:4,5-c')diacridine-6,9,15,18(5H,14H)-tetrone;DTXSID0063448;SCHEMBL14500692;MFCD00071846;AKOS025312547;Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5H,14H)-tetrone;C.I.68700;H10960;Benzo[1,2-c:4,5-c']diacridan-6,9,15,18-tetrone;Benzo[1,2-c:4,5-c']diacridine- 6,9,15,18(5H,14H)-tetrone;5,20-diazaheptacyclo[16.12.0.0,.0,.0,.0,.0,triaconta-1(30),3,6(11),7,9,13,15,18,21(26),22,24,28-dodecaene-2,12,17,27-tetrone

Chemical Property of Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5h,14h)-tetrone

Chemical Property:

• Boiling Point: 777.7 °C at 760 mmHg
• Flash Point: 269.8 °C
• PSA: 99.86000
• Density: 1.488 g/cm³
• LogP: 4.45140
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 442.09535693
• Heavy Atom Count: 34
• Complexity: 857

Purity/Quality:

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

Vat Violet 13 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(N2)C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5NC7=CC=CC=C7C6=O
• Uses: Vat Violet 13, tech. is a dye used for dyeing cellulose fibers shade-stable tones.

Technology Process of Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5h,14h)-tetrone

There total 7 articles about Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5h,14h)-tetrone 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-Bis(2-carboxyanilino)-9,10-anthracenedione (81-78-7) → Vat Violet S (4424-87-7)

Guidance literature:

With sulfuric acid; at 100 - 110 ℃;

Reference yield:

N,N'-(9,10-dioxo-9,10-dihydro-anthracene-1,5-diyl)-di-anthranilic acid dimethyl ester (871879-82-2) → Vat Violet S (4424-87-7)

Guidance literature:

With sulfuric acid;

Reference yield:

1,5-Dichloroanthraquinone (82-46-2) → Vat Violet S (4424-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: nitrobenzene; potassium acetate; copper acetate / weiteres Reagens: Kupferpulver

2: phosphorus pentachloride; naphthalene

With naphthalene; phosphorus pentachloride; potassium acetate; copper (I) acetate; nitrobenzene;

upstream raw materials:

1,5-Bis(2-carboxyanilino)-9,10-anthracenedione

N,N'-(9,10-dioxo-9,10-dihydro-anthracene-1,5-diyl)-di-anthranilic acid dimethyl ester

1,5-Dichloroanthraquinone

anthranilic acid