Isoviolanthrone

Base Information

• Chemical Name: Isoviolanthrone
• CAS No.: 128-64-3
• Molecular Formula: C34H16O2
• Molecular Weight: 456.5
• Hs Code.: 2914399090
• European Community (EC) Number: 204-901-1
• NSC Number: 5268
• DSSTox Substance ID: DTXSID6059576
• Nikkaji Number: J5.410K
• Wikidata: Q72516213
• Mol file: 128-64-3.mol

Synonyms:Isoviolanthrone;128-64-3;Isodibenzanthrone;Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione;Izodibenzantron;Isothrene;Isoviolanthrone A;Benzadone Violet B;Romantrene Violet 2R;C.I. Vat Violet 10;Vat Violet 10;Paradone Violet B New;Paradone Brilliant Violet 2R;Romantrene Brilliant Violet 4R;Carbanthrene Printing Violet 2R;Romantrene Brilliant Violet F2R;Romantrene Brilliant Violet F4R;C.I. 60000;NSC 5268;Benzo(rst)phenanthro(10,1,2-cde)pentaphene-9,18-dione;NSC5268;EINECS 204-901-1;nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),21,23,25,28,33-hexadecaene-12,27-dione;Benzorstphenanthro10,1,2-cdepentaphene-9,18-dione;Dinaphtho(1,2,3-cd:1',2',3'-lm)perylene-9,18-dione;Diisobenzanthrone;CI Vat Violet 10;.para.Done Violet B New;SCHEMBL88058;Color Index No. 60000;Color Index Number 60000;Colour Index No. 60000;Colour Index Number 60000;DTXSID6059576;.Para.Done Brilliant Violet 2R;NSC-5268;vat violet 1 (c.i. 60010);MFCD00021274;AKOS003617605;CI 60000;FT-0627410;I0222;D91105;A907917;W-109466;Dinaphtho[1,3-cd:1',2',3'-lm]perylene-9,18-dione;Benzo[rst]phenanthro[10,1, 2-cde]pentaphene-9,18-dione;{Dinaphtho[1,2,3-cd:1',2',3'-lm]perylene-9,} 18-dione;nonacyclo[18.10.2.2^{2,5.0^{3,16.0^{4,13.0^{6,11.0^{17,31.0^{21,26.0^{28,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),21,23,25,28,33-hexadecaene-12,27-dione

Chemical Property of Isoviolanthrone

Chemical Property:

• Appearance/Colour: dark powder
• Refractive Index: 1.926
• PSA: 34.14000
• Density: 1.487g/cm³
• LogP: 8.16000
• Solubility.: slightly sol. in Acetone,Toluene,Chloroform
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 456.115029749
• Heavy Atom Count: 36
• Complexity: 877

Purity/Quality:

98% ^*data from raw suppliers

Isoviolanthrone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O

Technology Process of Isoviolanthrone

There total 77 articles about Isoviolanthrone 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: 95.0%

7H-benz[d,e]anthracene-7-one (82-05-3) → isoviolanthrone (128-64-3)

Guidance literature:

With 2,6-dichloro-benzonitrile; potassium tert-butylate; at 170 ℃;

DOI:10.1021/jo0010835

Reference yield: 70.0%

3-bromobenzanthrone (81-96-9) → isoviolanthrone (128-64-3)

Guidance literature:

With potassium ethoxide; In ethanol; at 150 - 160 ℃; for 2h;

Reference yield:

7H-benz[d,e]anthracene-7-one (82-05-3) → isoviolanthrone (116-71-2) + isoviolanthrone (128-64-3)

Guidance literature:

With methanol; potassium hydroxide;

upstream raw materials:

7H-benz[d,e]anthracene-7-one

3-chloro-7H-benzo(de)anthracen-7-one

sodium ethanolate

3-bromobenzanthrone

Downstream raw materials:

isoviolanthrene A

9,10-anthraquinone-1,2-dicarboxylic acid

benzene-1,2-dicarboxylic acid

isoviolanthrone dichloride

Refernces

• 1、 Sakamoto,Pac. "A "green" route to perylene dyes: Direct coupling reactions of 1,8-naphthalimide and related compounds under mild conditions using a "new" base complex reagent, t-BuOK/DBN". . p. 94 - 98. Retrieved 2001.
• 2、 Traven', V. F.,Safronov, A. I.,Makarov, I. G.,Kazakova, V. M.,Chibisova, T. A.. "ELECTRONIC STRUCTURE OF ? SYSTEMS. XI. RADICAL ANIONS OF BENZANTHRONE AND ITS DERIVATIVES AND THEIR ROLE IN CONDENSATION REACTIONS IN THE PRESENCE OF STRONG BASES". . p. 1709 - 1717. Retrieved 2007/10/02.