Violanthrone

Base Information

• Chemical Name: Violanthrone
• CAS No.: 116-71-2
• Deprecated CAS: 475-50-3,57455-86-4,57455-86-4
• Molecular Formula: C34H16O2
• Molecular Weight: 456.5
• Hs Code.: 2914399090
• European Community (EC) Number: 204-152-0,814-885-3,841-219-9
• NSC Number: 2212
• UNII: VH1DQP6QPQ
• DSSTox Substance ID: DTXSID7026281
• Nikkaji Number: J5.524G
• Wikipedia: Violanthrone
• Wikidata: Q17093626
• ChEMBL ID: CHEMBL344254
• Mol file: 116-71-2.mol

Synonyms:anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione;violanthrone

Chemical Property of Violanthrone

Chemical Property:

• Appearance/Colour: Bluish-black to black powder
• Melting Point: 338-339 °C
• Refractive Index: 1.926
• Boiling Point: 522.64°C (rough estimate)
• PSA: 34.14000
• Density: 1.487g/cm³
• LogP: 8.16000
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

99.9% ^*data from raw suppliers

Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione 95+% ^*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=C7C5=CC=C8C7=C(C=C6)C9=CC=CC=C9C8=O)C2=O

Technology Process of Violanthrone

There total 35 articles about Violanthrone 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: 20.0%

3-bromobenzanthrone (81-96-9) → 7H-benz[d,e]anthracene-7-one (82-05-3) + isoviolanthrone (116-71-2) + 13,13'-dibenzanthronyl (116-96-1)

Guidance literature:

With potassium hydroxide; (Ph₃P)2PdCl; hydrazine; alkyltrimethylammonium chloride; In toluene; at 90 - 95 ℃;

Reference yield:

3-bromobenzanthrone (81-96-9) → 7H-benz[d,e]anthracene-7-one (82-05-3) + isoviolanthrone (116-71-2)

Guidance literature:

3-bromobenzanthrone; With [2,2]bipyridinyl; nickel dichloride; zinc; In N,N-dimethyl-formamide; at 60 ℃; for 6h;

With dihydrogen peroxide; In N,N-dimethyl-formamide; at 30 - 40 ℃; for 0.5h;

DOI:10.1007/bf02757446

Reference yield:

13,13'-dibenzanthronyl (116-96-1) → isoviolanthrone (116-71-2)

Guidance literature:

With potassium hydroxide; chlorobenzene; at 80 - 120 ℃; Reagens 4: Methanol;

upstream raw materials:

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

3-bromobenzanthrone

4,4'-dibenzanthronyl

13,13'-dibenzanthronyl

Downstream raw materials:

violanthrene A

Leucoviolanthren-dibenzoat

Jade Green XBN

3,12-dibromo-anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione

Refernces

• 1、 Shirotani et al.. "". . p. 386,388, 389. Retrieved 1966.
• 2、 -. "Vat dyes". . . Retrieved 2008/06/13.