Isbufylline

Base Information

• Chemical Name: Isbufylline
• CAS No.: 90162-60-0
• Molecular Formula: C11H16 N4 O2
• Molecular Weight: 236.274
• UNII: 9C8Z5F38D0
• DSSTox Substance ID: DTXSID6046767
• Nikkaji Number: J356.009K
• Wikidata: Q27272352
• NCI Thesaurus Code: C65970
• ChEMBL ID: CHEMBL1453416
• Mol file: 90162-60-0.mol

Synonyms:1,3-dimethyl-7-isobutylxanthine;isbufylline;TE 06;TE-06

Chemical Property of Isbufylline

Chemical Property:

• Vapor Pressure: 1.98E-07mmHg at 25°C
• Boiling Point: 425°C at 760 mmHg
• Flash Point: 210.8°C
• PSA: 61.82000
• Density: 1.3g/cm³
• LogP: 0.08970
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.12732577
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

98% ^*data from raw suppliers

7-ISOBUTYL-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Technology Process of Isbufylline

There total 1 articles about Isbufylline 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:

→ 1,3 dimethyl 7 isobutylxanthine (90162-60-0)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 3h;

Reference yield: 70.0%

1,3 dimethyl 7 isobutylxanthine (90162-60-0) + diphenyldisulfane (882-33-7) → 9-isobutyl-1,3-dimethyl-8-(phenylthio)xanthine

Guidance literature:

With oxygen; silver(I) acetate; copper(II) acetate monohydrate; In 5,5-dimethyl-1,3-cyclohexadiene; at 145 ℃; for 15h;

DOI:10.1016/j.tetlet.2013.08.097

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