Flavanthrone

Base Information

• Chemical Name: Flavanthrone
• CAS No.: 475-71-8
• Deprecated CAS: 52907-35-4,82601-32-9,754195-83-0,754195-83-0,82601-32-9
• Molecular Formula: C28H12N2O2
• Molecular Weight: 408.415
• European Community (EC) Number: 207-498-0
• NSC Number: 39910,16091
• UNII: 5FA52JAB7C
• DSSTox Substance ID: DTXSID6060056
• Nikkaji Number: J5.972B
• Wikipedia: Vat_Yellow_1
• Wikidata: Q1427452
• ChEMBL ID: CHEMBL137369
• Mol file: 475-71-8.mol

Synonyms:C. I. Vat Yellow 1;Vat Yellow 1

Chemical Property of Flavanthrone

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 3.56E-21mmHg at 25°C
• Refractive Index: 1.936
• Boiling Point: 730.1 °C at 760 mmHg
• PKA: -0.82±0.20(Predicted)
• Flash Point: 365.3 °C
• PSA: 59.92000
• Density: 1.575 g/cm³
• LogP: 5.79680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Sulfuric Acid (Slightly)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 408.089877630
• Heavy Atom Count: 32
• Complexity: 773

Purity/Quality:

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

Flavanthrone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=NC4=C5C6=C(C=C4)C(=O)C7=CC=CC=C7C6=NC8=C5C3=C(C2=O)C=C8
• Uses: Vat dye for textiles, etc.

Technology Process of Flavanthrone

There total 45 articles about Flavanthrone 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: 77.0%

N,N’-(1,1’-bianthracene-9,9’,10,10’-tetraon-2,2’-diyl)diacetamide (32497-38-4) → flavanthrone (475-71-8)

Guidance literature:

With hydrogenchloride; In water; for 24h; Reflux;

DOI:10.1002/chem.201600513

Reference yield:

1-chloro-2-acetylaminoanthraquinone (42983-73-3) → flavanthrone (475-71-8)

Guidance literature:

1-chloro-2-acetylaminoanthraquinone; In N,N-dimethyl-formamide; at 50 - 90 ℃; for 0.5h;

With iron(III) chloride; copper; In N,N-dimethyl-formamide; at 70 ℃;

Reference yield:

2-aminoanthraquinone (117-79-3) → flavanthrone (475-71-8)

Guidance literature:

With antimonypentachloride; nitrobenzene;

upstream raw materials:

pyridine

2,2'-diamino-[1,1']bianthryl-9,10,9',10'-tetraone

[1,1']bianthryl-9,10,9',10'-tetraone

9,10-dioxo-9,10-dihydro-anthracene-1-carboxylic acid amide

Refernces

• 1、 -. "New flavanthrone synthesis method". Paragraph 0007. . Retrieved 2016/10/31.