1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone

Base Information

• Chemical Name: 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone
• CAS No.: 13698-89-0
• Molecular Formula: C21H16 N2 O5
• Molecular Weight: 376.368
• Hs Code.: 2922509090
• European Community (EC) Number: 237-221-9,250-547-6
• NSC Number: 336253
• DSSTox Substance ID: DTXSID10904368
• Nikkaji Number: J269.326G
• Wikidata: Q81988169
• Mol file: 13698-89-0.mol

Synonyms:13698-89-0;1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone;1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dione;31288-44-5;EINECS 250-547-6;1,5-Diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthraquinone;EINECS 237-221-9;1,5-Diamino-4,8-dihydroxy(p-methoxyphenyl)anthraquinone;9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy(4-methoxyphenyl)-;NSC336253;SCHEMBL11077559;DTXSID10904368;NSC 336253;NSC-336253;1,5-Diamino-4,8-dihydroxy-2-(4-methoxyphenyl)-9,10-anthracenedione

Chemical Property of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone

Chemical Property:

• Vapor Pressure: 3.26E-22mmHg at 25°C
• Boiling Point: 733°Cat760mmHg
• Flash Point: 397.1°C
• PSA: 135.87000
• Density: 1.506g/cm³
• LogP: 3.87560
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 376.10592162
• Heavy Atom Count: 28
• Complexity: 620

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O

Technology Process of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone

There total 2 articles about 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone 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:

Alizarin Saphirol B (128-86-9,12237-25-1) + methoxybenzene (100-66-3) → 1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthraquinone (13698-89-0)

Guidance literature:

With ammonium hydroxide; sodium dithionite; boric acid; Multistep reaction; 1.) conc. H₂SO₄, 80 dec C, then 5 deg C, 2 h; 2.) water, 95 deg C, 2 h;

DOI:10.1080/00268948308083693

Reference yield:

→ 1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthraquinone (13698-89-0)

Guidance literature:

Anthrachinonsulfonsaeure I 1)H2SO4/Borsaeure, Anisol; 2)NH3, Dithionit;

Reference yield:

1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthraquinone (13698-89-0) → 1,5-Dihydroxy-3-(p-methoxyphenyl)anthrachinon (35224-25-0)

Guidance literature:

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

DOI:10.1080/00268948308083693

upstream raw materials:

Alizarin Saphirol B

methoxybenzene

Downstream raw materials:

1,5-Dihydroxy-3-(p-methoxyphenyl)anthrachinon

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