2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

Base Information

• Chemical Name: 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
• CAS No.: 81-69-6
• Molecular Formula: C20H15 N3 O8 S2
• Molecular Weight: 489.486
• European Community (EC) Number: 201-370-8
• DSSTox Substance ID: DTXSID5058852
• Nikkaji Number: J33.364F
• Wikidata: Q81988550
• ChEMBL ID: CHEMBL1208089
• Mol file: 81-69-6.mol

Synonyms:81-69-6;Sulfoparablue;USAF ND-60;BRN 2928257;2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-;2-Anthracenesulfonicacid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-;EINECS 201-370-8;1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid;1-Amino-2-sulfo-4-(4'-amino-3'-sulfoanilino)anthraquinone;1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid;2-Anthracenesulfonic acid, 1-amino-4-((4-amino-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-;2-Anthraquinonesulfonic acid, 1-amino-4-(4-amino-3-sulfonanilino)-;1-Amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid;2-Anthracenesulfonic acid, 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxo-;Acide 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonique;SCHEMBL6876404;CHEMBL1208089;DTXSID5058852;LS-20371;A898769;1-amino-4-[(4-amino-3-sulfophenyl)amino]-anthraquinone-2-sulfonic acid;2-Anthraquinonesulfonic acid, 1-amino-4-(4-amino-3-sulfonanilino)- (6CI);1-amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracen-2-sulfonsyre;Acide 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthrac ne-2-sulfonique

Chemical Property of 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

Chemical Property:

• Refractive Index: 1.6390 (estimate)
• Boiling Point: 294°C (rough estimate)
• PSA: 223.71000
• Density: 1.778g/cm³
• LogP: 5.26040
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 489.03005679
• Heavy Atom Count: 33
• Complexity: 1010

Purity/Quality:

99%, ^*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(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

Technology Process of 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

There total 2 articles about 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo- 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-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid (116-81-4) + 2,5-diaminobenzenesulfonic acid (88-45-9) → 1-amino-4-(4-amino-3-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (81-69-6)

Guidance literature:

With sodium carbonate; copper(l) chloride; sodium sulfite; In water; at 20 ℃; for 8h;

DOI:10.1016/S0223-5234(02)01449-6

Reference yield:

→ 1-amino-4-(4-amino-3-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (81-69-6)

Guidance literature:

1-Amino-4-bromanthrachinon-2-sulfonsaeure, 2,5-Diamino-benzolsulfonsaeure;

Reference yield:

N-4,6-dichloro-s-triazinylmethanesulphon methylamide + 1-amino-4-(4-amino-3-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (81-69-6) → 9,10-phenanthrenequinone (84-65-1)

Guidance literature:

upstream raw materials:

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid

2,5-diaminobenzenesulfonic acid

Downstream raw materials:

sodium salt of 1,4-diaminoanthraquinone-2-sulfonic acid

1-amino-4-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

reactive blue 2

Reactive blue 2

Refernces

• 1、 Glaenzel, Markus,Bueltmann, Ralph,Starke, Klaus,Frahm, August W.. "Constitutional isomers of Reactive Blue 2 - Selective P2Y-receptor antagonists?". . p. 303 - 312. Retrieved 2007/10/03.