3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine

Base Information

• Chemical Name: 3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine
• CAS No.: 149981-21-5
• Molecular Formula: C13H13 N5 O4 S
• Molecular Weight: 335.34
• DSSTox Substance ID: DTXSID00399901
• Nikkaji Number: J562.206I
• Wikidata: Q82202673
• ChEMBL ID: CHEMBL88372
• Mol file: 149981-21-5.mol

Synonyms:149981-21-5;3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine;4-(3,7-dimethyl-2,6-dioxopurin-8-yl)benzenesulfonamide;3,7-Dimethyl-8-(p-sulfamoylphenyl)xanthine;4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide;CHEMBL88372;DTXSID00399901;AKOS030241859;FT-0667556;4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzene-1-sulfonamide

Chemical Property of 3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine

Chemical Property:

• Melting Point: >300°C
• Refractive Index: 1.768
• PSA: 141.22000
• Density: 1.69g/cm³
• LogP: 1.05580
• Storage Temp.: -20°C Freezer
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 335.06882509
• Heavy Atom Count: 23
• Complexity: 610

Purity/Quality:

97% ^*data from raw suppliers

3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)N)N(C(=O)NC2=O)C

Technology Process of 3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine

There total 1 articles about 3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine 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%

6-amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil → 3,7-dimethyl-8-(4-sulfonamidophenyl)xanthine (149981-21-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1021/jm00070a007

Reference yield: 95.0%

3,7-dimethyl-8-(4-sulfonamidophenyl)xanthine (149981-21-5) → 3,7-dimethyl-8-(4-sulfophenyl)xanthine (149981-20-4)

Guidance literature:

With trifluoroacetic acid; sodium nitrite; Ambient temperature;

DOI:10.1021/jm00070a007

Reference yield:

3,7-dimethyl-8-(4-sulfonamidophenyl)xanthine (149981-21-5) → 1-allyl-3,7-dimethyl-8-(4-sulfophenyl)xanthine

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / TFA, aq. NaNO₂ / Ambient temperature

2: 73 percent / NaH / dimethylformamide / 8 h / Ambient temperature

With sodium hydride; trifluoroacetic acid; sodium nitrite; In N,N-dimethyl-formamide;

DOI:10.1021/jm00070a007

Downstream raw materials:

3,7-dimethyl-8-(4-sulfophenyl)xanthine

Refernces