1,3,7-Trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione

Base Information

• Chemical Name: 1,3,7-Trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione
• CAS No.: 35629-13-1
• Molecular Formula: C11H16N4O2
• Molecular Weight: 236.2703
• NSC Number: 101813
• DSSTox Substance ID: DTXSID40295418
• Wikidata: Q82035350
• Mol file: 35629-13-1.mol

Synonyms:1,3,7-trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione;35629-13-1;NSC101813;NCIOpen2_006988;SCHEMBL15075367;DTXSID40295418;NSC-101813;1,3,7-trimethyl-8-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Chemical Property of 1,3,7-Trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 2.11E-07mmHg at 25°C
• Boiling Point: 424.2°C at 760 mmHg
• Flash Point: 210.3°C
• Density: 1.3g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.12732577
• Heavy Atom Count: 17
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Technology Process of 1,3,7-Trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione

There total 9 articles about 1,3,7-Trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione 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:

3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionyl chloride (857401-41-3) → 1,3,7-Trimethyl-8-n-propylxanthin (35629-13-1)

Guidance literature:

Multi-step reaction with 4 steps

2: Raney nickel; aqueous ethanol

3: benzene; SOCl₂

4: Raney nickel; KOH; aqueous ethanol

With potassium hydroxide; thionyl chloride; ethanol; nickel; benzene;

Reference yield:

3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-thiopropionic acid S-benzyl ester (873397-25-2) → 1,3,7-Trimethyl-8-n-propylxanthin (35629-13-1)

Guidance literature:

Multi-step reaction with 3 steps

1: Raney nickel; aqueous ethanol

2: benzene; SOCl₂

3: Raney nickel; KOH; aqueous ethanol

With potassium hydroxide; thionyl chloride; ethanol; nickel; benzene;

Reference yield:

8-(3-chloro-propyl)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione (876510-86-0) → 1,3,7-Trimethyl-8-n-propylxanthin (35629-13-1)

Guidance literature:

With potassium hydroxide; ethanol; nickel;

upstream raw materials:

8-(3-chloro-propyl)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione

2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-butyric acid

8-chlorocaffeine

8-(3-hydroxy-propyl)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 35629-13-1 1,3,7-trimethyl-8-propyl-3,7-dihydro-1H-purine-2,6-dione

Send

Send

Metric Ton KG G Pound L ML

Send

Send