1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione

Base Information

• Chemical Name: 1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
• CAS No.: 71335-86-9
• Molecular Formula: C22H17 N O4
• Molecular Weight: 359.381
• NSC Number: 156565
• DSSTox Substance ID: DTXSID20303085
• Wikidata: Q82048201
• ChEMBL ID: CHEMBL1509338
• Mol file: 71335-86-9.mol

Synonyms:MLS000766195;71335-86-9;NSC156565;SMR000528657;1-Hydroxy-4-((4-(2-hydroxyethyl)phenyl)amino)anthracene-9,10-dione;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione;cid_291365;CHEMBL1509338;REGID_for_CID_291365;SCHEMBL13370284;DTXSID20303085;BDBM114547;NSC-156565;MLS000766195-02;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]-9,10-anthraquinone;1-[[4-(2-hydroxyethyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione

Chemical Property of 1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione

Chemical Property:

• Vapor Pressure: 7.22E-14mmHg at 25°C
• Boiling Point: 570.8°C at 760 mmHg
• Flash Point: 299°C
• Density: 1.415g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 359.11575802
• Heavy Atom Count: 27
• Complexity: 557

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=C(C=C4)CCO

Technology Process of 1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione

There total 2 articles about 1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-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:

1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) + 9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione (17648-03-2,79248-79-6) + 2-(4'-aminophenyl)ethyl alcohol (104-10-9) → NSC156565 (71335-86-9)

Guidance literature:

boric acid; In methanol; at 66 ℃; for 16h; Heating / reflux;

Reference yield:

1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) + 2-(4'-aminophenyl)ethyl alcohol (104-10-9) → NSC156565 (71335-86-9)

Guidance literature:

With 9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione; boric acid; In methanol; at 66 ℃; for 16h; Heating / reflux;

Reference yield: 42.0%

NSC156565 (71335-86-9) + Methacryloyl chloride (920-46-7,26937-45-1) → 1-(4-(2-methacryloyloxyethyl)phenyl)amino-4-hydroxy-9,10-anthraquinone (1310893-73-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 24h;

upstream raw materials:

1,4-dihydroxy-9,10-anthracenedione

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

2-(4'-aminophenyl)ethyl alcohol

Downstream raw materials:

1-(4-(2-(allylaminocarbonyloxy)ethyl)phenyl)amino-4-hydroxyanthraquinone

1-(4-(2-methacryloyloxyethyl)phenyl)amino-4-hydroxy-9,10-anthraquinone