1-Allyl-3,7-dimethyl-8-phenylxanthine

Base Information

• Chemical Name: 1-Allyl-3,7-dimethyl-8-phenylxanthine
• CAS No.: 149981-23-7
• Molecular Formula: C₁₆H₁₆N₄O₂
• Molecular Weight: 296.329
• ChEMBL ID: CHEMBL66610
• DSSTox Substance ID: DTXSID20407835
• Nikkaji Number: J562.210G
• Wikidata: Q82213177
• Mol file: 149981-23-7.mol

Synonyms:1-ALLYL-3,7-DIMETHYL-8-PHENYLXANTHINE;149981-23-7;3,7-dimethyl-8-phenyl-1-prop-2-enylpurine-2,6-dione;CHEMBL66610;1-Allyl-3,7-dimethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione;SCHEMBL5411870;DTXSID20407835;BDBM50045338;MFCD00083166;AKOS025394385;NCGC00163301-01;FT-0607305;1-ALLYL-37-DIMETHYL-8-PHENYLXANTHINE;1-Allyl-3,7-dimethyl-8-phenylxanthine, solid;A808990;W-201332;1-Allyl-3,7-dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione;1-Allyl-3,7-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione;3,7-dimethyl-8-phenyl-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Chemical Property of 1-Allyl-3,7-dimethyl-8-phenylxanthine

Chemical Property:

• Vapor Pressure: 3.1E-10mmHg at 25°C
• Melting Point: 173-174 °C
• Refractive Index: 1.644
• Boiling Point: 502.7 °C at 760 mmHg
• Flash Point: 257.8 °C
• PSA: 61.82000
• Density: 1.26 g/cm³
• LogP: 1.28670
• Solubility.: DMSO: soluble
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 296.12732577
• Heavy Atom Count: 22
• Complexity: 475

Purity/Quality:

98%min ^*data from raw suppliers

1-Allyl-3,7-dimethyl-8-phenylxanthine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)CC=C)C
• Uses: A1 adenosine receptor antagonist

Technology Process of 1-Allyl-3,7-dimethyl-8-phenylxanthine

There total 1 articles about 1-Allyl-3,7-dimethyl-8-phenylxanthine 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%

allyl iodid (556-56-9) + 3,7-dimethyl-8-phenylxanthine (149981-18-0) → 1-allyl-3,7-dimethyl-8-phenylxanthine (149981-23-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 4h;

DOI:10.1021/jm00070a007

upstream raw materials:

allyl iodid

3,7-dimethyl-8-phenylxanthine

Refernces