Diberal

Base Information

• Chemical Name: Diberal
• CAS No.: 2964-06-9
• Molecular Formula: C₁₂H₂₀N₂O₃
• Molecular Weight: 240.302
• Hs Code.: 2933540000
• NSC Number: 31256
• UNII: 31E1HC8I46
• DSSTox Substance ID: DTXSID301031188
• Nikkaji Number: J105.475I
• Wikidata: Q27256040
• Mol file: 2964-06-9.mol

Synonyms:5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid;5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid, (+-)-isomer;5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid, (R)-isomer;5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid, (S)-isomer;5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid, monosodium salt;DMBB

Chemical Property of Diberal

Chemical Property:

• Refractive Index: 1.4760 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 75.27000
• Density: 1.063g/cm³
• LogP: 2.08860
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.14739250
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Diberal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C(C)CC(C)C
• Uses: Diberal is an impurity of Pentobarbital (P276000), an sedative and hypnotic.

Technology Process of Diberal

There total 2 articles about Diberal 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:

→ 5-ethyl-5-(1',3'-dimethylbutyl)barbituric acid (2964-06-9)

Guidance literature:

With sodium ethanolate; urea;

Reference yield:

5-ethyl,5-(1',3'-dimethylbut-2'-enyl) barbituric acid (3625-18-1) → 5-ethyl-5-(1',3'-dimethylbutyl)barbituric acid (2964-06-9)

Guidance literature:

With methanol; platinum; Hydrogenation;

upstream raw materials:

5-ethyl,5-(1',3'-dimethylbut-2'-enyl) barbituric acid