Ponceau 3R free acid

Base Information

• Chemical Name: Ponceau 3R free acid
• CAS No.: 25738-43-6
• Molecular Formula: C19H18N2O7S2
• Molecular Weight: 450.49
• UNII: WD0P7VB90K
• DSSTox Substance ID: DTXSID00859818
• Nikkaji Number: J247.013F
• Wikidata: Q27292560
• ChEMBL ID: CHEMBL2009344
• Mol file: 25738-43-6.mol

Synonyms:Ponceau 3R free acid;Food Red 6 free acid;WD0P7VB90K;C.i. food Red 6 (free acid);UNII-WD0P7VB90K;25738-43-6;2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((2,4,5-trimethylphenyl)azo)-;2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(2,4,5-trimethylphenyl)diazenyl)-;FD and C Red No. 1;CHEMBL2009344;DTXSID00859818;NCI60_000113;LS-194308;Q27292560;3-Hydroxy-4-[(2,4,5-trimethylphenyl)azo]-2,7-naphthalenedisulfonic acid;3-Hydroxy-4-[(2,4,5-trimethylphenyl)azo]-2,7-naphthalenedisulfonic acid, 9CI;3-Hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulfonic acid

Chemical Property of Ponceau 3R free acid

Chemical Property:

• PSA: 170.45000
• LogP: 6.54100
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 450.05554326
• Heavy Atom Count: 30
• Complexity: 849

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)C

Technology Process of Ponceau 3R free acid

There total 1 articles about Ponceau 3R free 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:

2-naphthol-3,6-disulphonic acid (148-75-4) → 3-hydroxy-4-(2,4,5-trimethyl-phenylazo)-naphthalene-2,7-disulfonic acid (25738-43-6)

Guidance literature:

With alkali;

Reference yield:

Methyl fluorosulfonate (421-20-5) + 3-hydroxy-4-(2,4,5-trimethyl-phenylazo)-naphthalene-2,7-disulfonic acid (25738-43-6) → 3-Hydroxy-4-(2,4,5-trimethyl-phenylazo)-naphthalene-2,7-disulfonic acid dimethyl ester

Guidance literature:

With sodium sulfate; tetrabutylammonium sulfate; sodium phosphate; Yield given. Multistep reaction; 1.) H₂O, pH 3-8, 2.) CH₂Cl₂, reflux, 3 h;

upstream raw materials:

2-naphthol-3,6-disulphonic acid