Solvent Blue 36

Base Information

• Chemical Name: Solvent Blue 36
• CAS No.: 14233-37-5
• Deprecated CAS: 12226-73-2,88651-81-4,89073-26-7,88651-81-4,89073-26-7
• Molecular Formula: C20H22N2O2
• Molecular Weight: 322.407
• Hs Code.: 2922399090
• European Community (EC) Number: 238-101-9
• NSC Number: 58039
• UNII: NEH7L3Y1P1
• DSSTox Substance ID: DTXSID2041250
• Nikkaji Number: J58.310C
• Wikipedia: Oil_Blue_A
• Wikidata: Q7081288
• ChEMBL ID: CHEMBL3182568
• Mol file: 14233-37-5.mol

Synonyms:1,4-bis(isopropylamino)anthraquinone;Oil Blue A

Chemical Property of Solvent Blue 36

Chemical Property:

• Appearance/Colour: Dark blue powder
• Vapor Pressure: 9.4E-12mmHg at 25°C
• Melting Point: 176-178 °C
• Refractive Index: 1.648
• Boiling Point: 540.6 °C at 760 mmHg
• PKA: 6.13±0.20(Predicted)
• Flash Point: 189.3 °C
• PSA: 58.20000
• Density: 1.217 g/cm³
• LogP: 4.24860
• Storage Temp.: 2-8°C
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 322.168127949
• Heavy Atom Count: 24
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

C.I.SolventBlue36 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=C2C(=C(C=C1)NC(C)C)C(=O)C3=CC=CC=C3C2=O

Technology Process of Solvent Blue 36

There total 5 articles about Solvent Blue 36 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: 30.0%

1,4-diamino-9,10-anthraquinone (128-95-0) + isopropyl bromide (75-26-3) → 1,4-Bis[(1-methylethyl)amino]-9,10-anthracenedione (14233-37-5)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; potassium carbonate; In 1,2-dichloro-ethane; at 50 ℃; for 10h;

DOI:10.1080/00397919108021031

Reference yield: 15.0%

1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) + isopropylamine (75-31-0) → 1,4-Bis[(1-methylethyl)amino]-9,10-anthracenedione (14233-37-5) + 1-isopropylamino-4-hydroxy-anthraquinone

Guidance literature:

In acetonitrile; Heating;

DOI:10.1007/BF00811317

Reference yield:

1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) → 1,4-Bis[(1-methylethyl)amino]-9,10-anthracenedione (14233-37-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 15 percent / acetonitrile / Heating

2: acetonitrile / Heating

In acetonitrile;

DOI:10.1007/BF00811317

upstream raw materials:

1,4-dihydroxy-9,10-anthracenedione

isopropylamine

1,4-diamino-9,10-anthraquinone

isopropyl bromide

Refernces

• 1、 Ramrao,Ramkumar,Anant,Ramanuja. "Phase transfer catalysed N-monoalkylation of amino anthraquinones". . p. 1129 - 1135. Retrieved 2007/10/02.