Procion blue MX-R

Base Information

• Chemical Name: Procion blue MX-R
• CAS No.: 13324-20-4
• Deprecated CAS: 11140-86-6,12225-35-3,95328-59-9,168042-09-9,223585-66-8,95145-54-3,1345811-16-6,12225-35-3,168042-09-9,223585-66-8,95145-54-3,95328-59-9
• Molecular Formula: C23H14Cl2N6O8S2
• Molecular Weight: 681.401
• European Community (EC) Number: 236-363-9
• NSC Number: 364368
• UNII: M3J92M47JZ
• DSSTox Substance ID: DTXSID2065412
• Nikkaji Number: J9.564H
• Wikidata: Q72506248
• ChEMBL ID: CHEMBL1741102
• Mol file: 13324-20-4.mol

Synonyms:procion blue MX-R;procion blue MX-R, disodium salt;procion blue MX-RX;Reactive Blue 4

Chemical Property of Procion blue MX-R

Chemical Property:

• Refractive Index: 1.774
• Boiling Point: 291°C (rough estimate)
• PKA: -1.22±0.20(Predicted)
• PSA: 248.39000
• Density: 1.861 g/cm³
• LogP: 6.40540
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 635.9691592
• Heavy Atom Count: 41
• Complexity: 1220

Purity/Quality:

99.9% ^*data from raw suppliers

Reactive Blue 4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 22-24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O)N
• Uses: Reactive Blue 4 (CAS# 13324-20-4) is an organic dye used in textiles. Reactive Blue 4 is water-soluble and a pollutant, and has been decolourized in water using microbial fuel cells. Dyes and metabolites.

Technology Process of Procion blue MX-R

There total 4 articles about Procion blue MX-R 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: 85.0%

disodium 1-amino-4-(3-amino-4-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate + 1,3,5-trichloro-2,4,6-triazine (108-77-0) → RB 4 (13324-20-4)

Guidance literature:

In water; acetone; at 0 - 20 ℃; for 3h;

DOI:10.1021/jm1012193

Reference yield:

1,3,5-trichloro-2,4,6-triazine (108-77-0) + 1-amino-4-(3-amino-4-sulfophenylamino)anthraquinone-2-sulfonic acid (128-99-4) → Reactive blue 4 (13324-20-4)

Guidance literature:

With sodium hydroxide; In water; at 0 ℃; for 2.75h; pH=5;

Reference yield:

sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6) → RB 4 (13324-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: copper / pH 6 - 7 / Phosphate buffer; Microwave irradiation

2: water; acetone / 3 h / 0 - 20 °C

With copper; In water; acetone; 1: Ullmann type reaction;

DOI:10.1021/jm1012193

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

1-amino-4-(3-amino-4-sulfophenylamino)anthraquinone-2-sulfonic acid

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

Downstream raw materials:

1-methyl-pyrrolidin-2-one

4-(methylamino)butyric acid

Phthalic acid dibutyl ester

2-hydroxy-1-nitropropane

Refernces

• 1、 -. "ADSORBENTS COMPRISING ANTHRAQUINONE DYE-LIGANDS FOR THE SEPARATION OF BIOLOGICAL MATERIALS". Page/Page column 24. . Retrieved 2008/06/13.