4,8-Diamino-2-(4-butoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione

Base Information

• Chemical Name: 4,8-Diamino-2-(4-butoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione
• CAS No.: 78526-67-7
• Molecular Formula: C₂₄H₂₂N₂O₅
• Molecular Weight: 418.449
• DSSTox Substance ID: DTXSID70607181
• Wikidata: Q82506144
• Mol file: 78526-67-7.mol

Synonyms:78526-67-7;4,8-Diamino-2-(4-butoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione;SCHEMBL11047837;DTXSID70607181

Chemical Property of 4,8-Diamino-2-(4-butoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione

Chemical Property:

• PSA: 135.87000
• LogP: 5.04590
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 418.15287181
• Heavy Atom Count: 31
• Complexity: 664

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N

Technology Process of 4,8-Diamino-2-(4-butoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione

There total 1 articles about 4,8-Diamino-2-(4-butoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione 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:

n-butyl phenyl ether (1126-79-0) + 1,5-dihydroxy-4,8-dinitro-anthraquinone (128-91-6) → 4,8-Diamino-2-(4-butoxy-phenyl)-1,5-dihydroxy-anthraquinone (78526-67-7)

Guidance literature:

With sodium sulfide; boric acid; Multistep reaction; 1.) conc. H₂SO₄, -8 deg C, 1 h; 2.) aq. H₂SO₄, reflux, 4 h; 3.) water, ethanol, reflux, 2 h;

DOI:10.1080/00268948308083693

Reference yield:

4,8-Diamino-2-(4-butoxy-phenyl)-1,5-dihydroxy-anthraquinone (78526-67-7) → 2-(4-Butoxy-phenyl)-1,5-dihydroxy-anthraquinone

Guidance literature:

With n-Amyl nitrite; In N,N-dimethyl-formamide; at 40 ℃; for 2h;

DOI:10.1080/00268948308083693

Reference yield:

4,8-Diamino-2-(4-butoxy-phenyl)-1,5-dihydroxy-anthraquinone (78526-67-7) → 2-(4-Butoxy-phenyl)-1,4,5,8-tetrahydroxy-anthraquinone

Guidance literature:

With piperidine; sodium hydroxide; sodium dithionite; Multistep reaction; 1.) water, reflux, 4 h; 2.) nitrobenzene, 165 deg C, 2 h;

DOI:10.1080/00268948308083693

upstream raw materials:

n-butyl phenyl ether

1,5-dihydroxy-4,8-dinitro-anthraquinone