2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

Base Information

• Chemical Name: 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
• CAS No.: 24124-40-1
• Molecular Formula: C23H21N3O8S2
• Molecular Weight: 531.567
• European Community (EC) Number: 246-025-2
• DSSTox Substance ID: DTXSID8074023
• Nikkaji Number: J33.363H
• Wikidata: Q72447697
• Mol file: 24124-40-1.mol

Synonyms:24124-40-1;EINECS 246-025-2;1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid;2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-;EC 246-025-2;2-Anthracenesulfonic acid, 1-amino-4-((3-amino-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-;BLUEBASEP-3R;SCHEMBL8021024;DTXSID8074023;FT-0689778;1-Amino-4-(3'-amino-2',4',6'-trimethyl-5'-sulfoanilino)anthraquinone-2-sulfonic acid;1-Amino-4-(5-amino-2,4,6-trimethyl-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid;2-Anthracenesulfonicacid,1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

Chemical Property of 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

Chemical Property:

• Refractive Index: 1.727
• PKA: -1.22±0.20(Predicted)
• PSA: 223.71000
• Density: 1.64 g/cm³
• LogP: 6.18560
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 531.07700698
• Heavy Atom Count: 36
• Complexity: 1100

Purity/Quality:

99.9% ^*data from raw suppliers

BLUE BASE P-3R 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)S(=O)(=O)O)C)N

Technology Process of 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

There total 2 articles about 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-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) + 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid (32432-55-6) → 1-amino-4-(2',4',6'-trimethyl-3'-amino-5'-sulfophenylamino)anthraquinone-2-sulfonic acid (24124-40-1)

Guidance literature:

With 1,4,7,10-tetraazacyclododecane-1,3-diene; copper; sodium hydrogencarbonate; copper(l) chloride; In water; at 80 - 82 ℃; for 4h; pH=9; Reagent/catalyst; Solvent;

Reference yield:

→ 1-amino-4-(2',4',6'-trimethyl-3'-amino-5'-sulfophenylamino)anthraquinone-2-sulfonic acid (24124-40-1)

Guidance literature:

Reference yield: 84.0%

sodium cyanide (773837-37-9) + 1-amino-4-(2',4',6'-trimethyl-3'-amino-5'-sulfophenylamino)anthraquinone-2-sulfonic acid (24124-40-1) → C25H19N5O2

Guidance literature:

1-amino-4-(2',4',6'-trimethyl-3'-amino-5'-sulfophenylamino)anthraquinone-2-sulfonic acid; With sodium carbonate; In water; at 50 - 60 ℃; pH=7 - 8;

sodium cyanide; In water; at 95 - 100 ℃; pH=7 - 8;

upstream raw materials:

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

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

Downstream raw materials:

C₂₆H₂₀Cl₂N₆O₈S₂

Refernces

• 1、 -. "the bromine ammonia acid is fragrant amine synthesis of anthraquinone type dye or chromophore method". Paragraph 0097-0183. . Retrieved 2017/10/20.