1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

Base Information

• Chemical Name: 1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
• CAS No.: 18791-01-0
• Molecular Formula: C20H15 N3 O8 S2
• Molecular Weight: 489.486
• European Community (EC) Number: 242-574-7
• DSSTox Substance ID: DTXSID00172115
• Nikkaji Number: J222.303A
• Wikidata: Q83042262
• ChEMBL ID: CHEMBL1208117
• Mol file: 18791-01-0.mol

Synonyms:18791-01-0;1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid;1-amino-4-(4-amino-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid;EINECS 242-574-7;SCHEMBL1592210;CHEMBL1208117;DTXSID00172115;1-Amino-4-[(4-amino-2-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid;2-Anthracenesulfonic acid, 1-amino-4-((4-amino-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-

Chemical Property of 1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 223.71000
• Density: 1.778g/cm³
• LogP: 5.26040
• XLogP3: 1.6
• 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=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

Technology Process of 1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

There total 4 articles about 1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid 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: 43.3%

2,5-diaminobenzenesulfonic acid (88-45-9) + sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6) → 1-amino-4-(4-amino-2-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid (18791-01-0)

Guidance literature:

sodium 1-amino-4-bromoanthraquinone-2-sulfonate; With sodium carbonate; sodium sulfite; In water; at 35 ℃; for 0.5h;

2,5-diaminobenzenesulfonic acid; With copper(l) chloride; In water; for 0.5h;

With copper(l) chloride; In water; for 0.5h;

Reference yield:

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid (116-81-4) + N-acetyl-p-phenylenediamine (122-80-5) → 1-amino-4-(4-amino-2-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid (18791-01-0)

Guidance literature:

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid; N-acetyl-p-phenylenediamine; With sodium hydrogencarbonate; copper(l) chloride; In water; at 70 ℃; for 3h;

With sulfuric acid; sulfur trioxide; In water; at 20 ℃; Further stages;

Reference yield:

4,6-dichloro-2-[3-(4-methyl-2,6-dihydroxy-3-cyanopyridin-(5)-ylazo)-4-sulphophenylamino]-1,3,5-triazine → 1-amino-4-(4-amino-2-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid (18791-01-0)

Guidance literature:

upstream raw materials:

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

N-acetyl-p-phenylenediamine

2,5-diaminobenzenesulfonic acid

sodium 1-amino-4-bromoanthraquinone-2-sulfonate

Downstream raw materials:

C₂₃H₁₄Cl₂N₆O₈S₂

Refernces

• 1、 -. "METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES". Page/Page column 33. . Retrieved 2015/09/23.
• 2、 -. "Organic dye compound having both pyridiniotriazinyl and vinylsulfone type fiber-reactive groups". . . Retrieved 2008/06/13.