1H-Purine-6-sulfonamide

Base Information

• Chemical Name: 1H-Purine-6-sulfonamide
• CAS No.: 82499-01-2
• Molecular Formula: C5H5N5O2S
• Molecular Weight: 199.193
• NSC Number: 55466
• DSSTox Substance ID: DTXSID30418679
• Nikkaji Number: J407.767I
• ChEMBL ID: CHEMBL23478
• Mol file: 82499-01-2.mol

Synonyms:1H-Purine-6-sulfonamide;Purine-6-sulfonamide;82499-01-2;7H-Purine-6-sulfonamide;9H-Purine-6-sulfonamide;7H-Purine-6-sulfonamide #;CHEMBL23478;SCHEMBL7375459;DTXSID30418679;PCTGSUQZDBBLHN-UHFFFAOYSA-N;NSC55466;NSC-55466;AKOS010998185;EN300-1709182;Z854066800

Chemical Property of 1H-Purine-6-sulfonamide

Chemical Property:

• Vapor Pressure: 2.03E-07mmHg at 25°C
• Boiling Point: 424.7°Cat760mmHg
• Flash Point: 210.6°C
• PSA: 123.00000
• Density: 2.16g/cm³
• LogP: 0.78140
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 199.01639559
• Heavy Atom Count: 13
• Complexity: 286

Purity/Quality:

9H-Purine-6-sulfonamide 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)S(=O)(=O)N

Technology Process of 1H-Purine-6-sulfonamide

There total 1 articles about 1H-Purine-6-sulfonamide 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:

→ purine-6-sulfonamide (82499-01-2)

Guidance literature:

Purinsulfonsaeure-(6)-fluorid in fl. NH3. Ausb. 85-90percent;

DOI:10.1021/ja01480a021

Reference yield:

9H-purine-6-sulfonamide (82499-01-2) → adenosine (58-61-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) hexamethyldisilazane (HMDS), ammonium sulfate, 2.) trimethylsilyl trifluoromethanesulfonate / 1.) reflux, 3 h, 2.) acetonitrile, 1 h

2: 80 percent / NH₃ / methanol / 5 h / -5 °C

With ammonium sulfate; trimethylsilyl trifluoromethanesulfonate; ammonia; 1,1,1,3,3,3-hexamethyl-disilazane; In methanol;

DOI:10.1021/jm00163a020

Downstream raw materials:

adenosine