N-acetyl-N-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetamide

Base Information

• Chemical Name: N-acetyl-N-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetamide
• CAS No.: 6278-77-9
• Molecular Formula: C₁₂H₁₅N₅O₄
• Molecular Weight: 293.282
• NSC Number: 34463
• DSSTox Substance ID: DTXSID90978441
• Wikidata: Q82963822
• ChEMBL ID: CHEMBL173097
• Mol file: 6278-77-9.mol

Synonyms:NSC34463;CHEMBL173097;6278-77-9;n-acetyl-n-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetamide;DTXSID90978441;N-acetyl-N-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetamide;BDBM50056836;NSC-34463;N-Acetyl-N-(1,3,7-trimethyl-2,6-dioxo(1,3,7-trihydropurin-8-yl))acetamide;N-Acetyl-N-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acetamide

Chemical Property of N-acetyl-N-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetamide

Chemical Property:

• Vapor Pressure: 9.85E-15mmHg at 25°C
• Boiling Point: 608.1°C at 760 mmHg
• Flash Point: 321.6°C
• Density: 1.35g/cm³
• XLogP3: -1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 293.11240398
• Heavy Atom Count: 21
• Complexity: 508

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)C(=O)C

Technology Process of N-acetyl-N-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetamide

There total 3 articles about N-acetyl-N-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetamide 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: 36.0%

8-Aminocaffeine (37789-28-9) + acetic anhydride (108-24-7) → N-acetyl-N-(3,7-dihydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)acetamide (6278-77-9)

Guidance literature:

With acetic acid; for 5h; Reflux;

DOI:10.1002/hlca.201000254

Reference yield:

→ N-acetyl-N-(3,7-dihydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)acetamide (6278-77-9)

Guidance literature:

With acetic anhydride;

Reference yield:

→ N-acetyl-N-(3,7-dihydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)acetamide (6278-77-9)

Guidance literature:

With acetic anhydride;

upstream raw materials:

8-Aminocaffeine

acetic anhydride