Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Base Information

• Chemical Name: Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
• CAS No.: 20349-48-8
• Molecular Formula: C20H13N3Na2O8S2
• Molecular Weight: 533.45
• European Community (EC) Number: 243-757-4
• ChEMBL ID: CHEMBL498229
• DSSTox Substance ID: DTXSID90942506
• Nikkaji Number: J280.571E
• Mol file: 20349-48-8.mol

Synonyms:20349-48-8;Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate;CHEMBL498229;EINECS 243-757-4;DTXSID90942506;NS00084462;Disodium 1-amino-4-(4-amino-2-sulfonatoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate;Sodium 1-amino-4-((4-amino-2-sulfonatophenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate;Sodium1-amino-4-((4-amino-2-sulfonatophenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Chemical Property of Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Chemical Property:

• PSA: 229.37000
• LogP: 4.57520
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 532.99394529
• Heavy Atom Count: 35
• Complexity: 979

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.[Na+].[Na+]

Technology Process of Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

There total 3 articles about Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate 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: 32.0%

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid (116-81-4) + 2,5-diaminobenzenesulfonic acid (88-45-9) → disodium 1-amino-4-(4-amino-2-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (20349-48-8) + disodium 1-amino-4-(4-amino-3-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (15827-21-1,32866-11-8,116679-68-6)

Guidance literature:

With copper; at 120 ℃; for 0.333333h; aq. phosphate buffer; Microwave irradiation;

DOI:10.1021/jm9003297

Reference yield: 10.0%

2,5-diaminobenzenesulfonic acid (88-45-9) + sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6) → disodium 1-amino-4-(4-amino-2-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (20349-48-8)

Guidance literature:

With copper(l) chloride; sodium sulfite; In water; at 60 ℃; for 8h;

DOI:10.1016/j.ejmech.2005.07.007

Reference yield:

→ disodium 1-amino-4-(4-amino-2-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (20349-48-8)

Guidance literature:

aus Na-1-Amino-4-Br-anthrachinon-2-sulfonat, p-Amino-acetanilid-m-sulfonsaeure ;

upstream raw materials:

2,5-diaminobenzenesulfonic acid

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

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

Refernces

• 1、 Gl?nzel, Markus,Bültmann, Ralph,Starke, Klaus,Frahm, August W.. "Structure-activity relationships of novel P2-receptor antagonists structurally related to Reactive Blue 2". . p. 1262 - 1276. Retrieved 2007/10/03.