Sodium;4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid

Base Information

• Chemical Name: Sodium;4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
• CAS No.: 6424-85-7
• Molecular Formula: C22H17N3O6S·Na
• Molecular Weight: 473.441
• Hs Code.: 3204.12
• NSC Number: 366218
• Mol file: 6424-85-7.mol

Synonyms:NSC366218;NSC-366218;NTOOJLUHUFUGQI-UHFFFAOYSA-N;AKOS030242592

Chemical Property of Sodium;4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid

Chemical Property:

• Appearance/Colour: Brownish blue wder
• Melting Point: 129-132°C(lit.)
• PSA: 166.87000
• LogP: 4.45830
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 474.07357573
• Heavy Atom Count: 33
• Complexity: 863

Purity/Quality:

99.9% ^*data from raw suppliers

Acid Blue 40 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.[Na+]
• Uses: Acid Blue 40 is an anthraquinone dye.

Technology Process of Sodium;4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid

There total 3 articles about Sodium;4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic 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: 90.0%

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid (116-81-4) + N-acetyl-p-phenylenediamine (122-80-5) → acid blue 40 sodium salt (6424-85-7)

Guidance literature:

With copper; at 120 ℃; for 0.0833333h; under 7500.75 Torr; aq. phosphate buffer; Microwave irradiation;

DOI:10.1021/jm9003297

Reference yield: 90.0%

sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6) + N-acetyl-p-phenylenediamine (122-80-5) → 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (24929-02-0) + acid blue 40 sodium salt (6424-85-7)

Guidance literature:

With sodium carbonate; copper(II) sulfate; at 90 ℃; for 48h;

DOI:10.1016/j.bmcl.2007.10.082

Reference yield:

→ acid blue 40 sodium salt (6424-85-7)

Guidance literature:

1-Amino-4-brom-anthrachinon-2-sulfonsaeure, p-Aminoacetanilid;

upstream raw materials:

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

N-acetyl-p-phenylenediamine

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

Downstream raw materials:

4-[4-(acetamino)phenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Refernces

• 1、 Weyler, Stefanie,Baqi, Younis,Hillmann, Petra,Kaulich, Marko,Hunder, Andrea M.,Mueller, Ingrid A.,Mueller, Christa E.. "Combinatorial synthesis of anilinoanthraquinone derivatives and evaluation as non-nucleotide-derived P2Y2 receptor antagonists". . p. 223 - 227. Retrieved 2008/09/19.