(+)-Pentobarbital

Base Information

• Chemical Name: (+)-Pentobarbital
• CAS No.: 21045-50-1
• Molecular Formula: C₁₁H₁₈N₂O₃
• Molecular Weight: 226.276
• UNII: 8DF73ON6SJ
• Nikkaji Number: J52.824B
• Wikidata: Q27270223

Synonyms:(R)-pentobarbital;(+)-Pentobarbital;8DF73ON6SJ;(+)-Pentobarbitone;R-(+)-Pentobarbital;UNII-8DF73ON6SJ;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, (R)-;21045-50-1;BIDD:PXR0115;PENTOBARBITAL, (R)-;PENTOBARBITAL, (+)-;5-ethyl-5-[(2s)-pentan-2-yl]pyrimidine-2,4,6(1h,3h,5h)-trione;PENTOBARBITONE, (+)-;SCHEMBL2376470;Q27270223;BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, (+)-;2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-((1R)-1-METHYLBUTYL)-

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Chemical Property of (+)-Pentobarbital

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 226.13174244
• Heavy Atom Count: 16
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC
• Isomeric SMILES: CCC[C@@H](C)C1(C(=O)NC(=O)NC1=O)CC

Technology Process of (+)-Pentobarbital

There total 2 articles about (+)-Pentobarbital 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-methyl-butyl)-barbituric acid (76-74-4,5767-32-8,5992-37-0,21045-50-1)

Guidance literature:

With sodium ethanolate; urea;

Reference yield:

→ (-)-5-ethyl-5-(1-methyl-butyl)-barbituric acid (76-74-4,5767-32-8,5992-37-0,21045-50-1)

Guidance literature: