1-(Butylamino)-4-hydroxyanthraquinone

Base Information

• Chemical Name: 1-(Butylamino)-4-hydroxyanthraquinone
• CAS No.: 63768-01-4
• Molecular Formula: C18H17 N O3
• Molecular Weight: 295.338
• Hs Code.: 2922509090
• European Community (EC) Number: 264-453-8
• DSSTox Substance ID: DTXSID40213213
• Nikkaji Number: J286.554H
• Wikidata: Q83088500
• Mol file: 63768-01-4.mol

Synonyms:63768-01-4;EINECS 264-453-8;1-(Butylamino)-4-hydroxyanthraquinone;1-(butylamino)-4-hydroxyanthracene-9,10-dione;SCHEMBL8431029;DTXSID40213213;1-butylamino-4-hydroxyanthraquinone;1-Hydroxy-4-(butylamino)-9,10-anthraquinone

Chemical Property of 1-(Butylamino)-4-hydroxyanthraquinone

Chemical Property:

• Vapor Pressure: 2.48E-11mmHg at 25°C
• Boiling Point: 517.6°C at 760 mmHg
• Flash Point: 266.8°C
• PSA: 66.40000
• Density: 1.304g/cm³
• LogP: 3.45260
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 295.12084340
• Heavy Atom Count: 22
• Complexity: 436

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O

Technology Process of 1-(Butylamino)-4-hydroxyanthraquinone

There total 3 articles about 1-(Butylamino)-4-hydroxyanthraquinone 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: 70.0%

1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) + N-butylamine (109-73-9,85404-21-3) → 2-(butylamino)-1,4-dihydroxyanthracene-9,10-dione (13217-65-7) + 1-(butylamino)-4-hydroxyanthracene-9,10-dione (63768-01-4)

Guidance literature:

With [bis(acetoxy)iodo]benzene; at 80 ℃; for 0.25h; Reagent/catalyst; Temperature;

DOI:10.3390/molecules18078046

Reference yield: 48.0%

1-hydroxyanthraquinone (129-43-1) + N-butylamine (109-73-9,85404-21-3) → 1-hydroxy-4-butylantraquinone (79207-95-7) + 1-(butylamino)-4-hydroxyanthracene-9,10-dione (63768-01-4) + 1-hydroxy-2,4-bis(butylamino)antraquinone (79207-96-8)

Guidance literature:

With CoCl₂; In butan-1-ol; for 5h; Heating;

DOI:10.1246/bcsj.54.2225

Reference yield:

methanol (67-56-1) + propylene glycol (57-55-6,63625-56-9) + 1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) + N-butylamine (109-73-9,85404-21-3) → 1-(butylamino)-4-hydroxyanthracene-9,10-dione (63768-01-4)

Guidance literature:

With sodium carbonate; In toluene;

upstream raw materials:

1-hydroxyanthraquinone

N-butylamine

methanol

propylene glycol

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