Solvent Blue 59

Base Information

• Chemical Name: Solvent Blue 59
• CAS No.: 6994-46-3
• Deprecated CAS: 81859-26-9
• Molecular Formula: C18H18N2O2
• Molecular Weight: 294.353
• Hs Code.: 2922399090
• European Community (EC) Number: 230-263-9,617-263-8
• UNII: 76MJF7P20V
• DSSTox Substance ID: DTXSID6041559
• Nikkaji Number: J58.308A
• Wikidata: Q27266495
• ChEMBL ID: CHEMBL3248037
• Mol file: 6994-46-3.mol

Synonyms:Anthraquinone,1,4-bis(ethylamino)- (6CI,7CI,8CI);1,4-Bis(ethylamino)-9,10-anthraquinone;1,4-Bis(ethylamino)anthraquinone;C.I. 61552;C.I. Solvent Blue 105;C.I.Solvent Blue 59;Calco Oil Blue N;Ceres Blue N;Kayaset Blue FR;Solvent Blue105;

Chemical Property of Solvent Blue 59

Chemical Property:

• Appearance/Colour: Blue liquid at 20? C
• Vapor Pressure: 1.14E-11mmHg at 25°C
• Melting Point: 215-217 °C(lit.)
• Refractive Index: 1.678
• Boiling Point: 538.6 °C at 760 mmHg
• PKA: 5.74±0.20(Predicted)
• Flash Point: 203.7 °C
• PSA: 58.20000
• Density: 1.274 g/cm³
• LogP: 3.47160
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 294.136827821
• Heavy Atom Count: 22
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

Solvent Blue 59 Dye content 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=C2C(=C(C=C1)NCC)C(=O)C3=CC=CC=C3C2=O

Technology Process of Solvent Blue 59

There total 4 articles about Solvent Blue 59 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: 85.0%

diethyl sulfate (64-67-5) + 1,4-diamino-9,10-anthraquinone (128-95-0) → 1,4-bisethylamino-anthraquinone (6994-46-3,81859-26-9)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; potassium carbonate; In 1,2-dichloro-ethane; at 50 - 55 ℃; for 3h;

DOI:10.1080/00397919108021031

Reference yield:

ethyl sulfate (540-82-9) + 1,4-diamino-9,10-anthraquinone (128-95-0) → 1,4-bisethylamino-anthraquinone (6994-46-3,81859-26-9)

Guidance literature:

at 140 ℃;

Reference yield:

9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione (17648-03-2,79248-79-6) + ethanamine hydrochloride (557-66-4) → 1,4-bisethylamino-anthraquinone (6994-46-3,81859-26-9)

Guidance literature:

With sodium hydroxide; anschliessendes Erhitzen mit Nitrobenzol;

upstream raw materials:

ethyl sulfate

1,4-diamino-9,10-anthraquinone

9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione

ethanamine hydrochloride

Refernces