Butabarbital

Base Information

• Chemical Name: Butabarbital
• CAS No.: 125-40-6
• Deprecated CAS: 97164-73-3
• Molecular Formula: C10H16 N2 O3
• Molecular Weight: 212.249
• Hs Code.: 2933530000
• European Community (EC) Number: 204-738-6
• NSC Number: 27517
• UNII: P0078O25A9
• DSSTox Substance ID: DTXSID2022709
• Nikkaji Number: J5.371F
• Wikipedia: Butabarbital
• Wikidata: Q410608
• NCI Thesaurus Code: C61657
• Pharos Ligand ID: APX8A76VGQR7
• Metabolomics Workbench ID: 42639
• ChEMBL ID: CHEMBL449
• Mol file: 125-40-6.mol

Synonyms:2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)-, monosodium salt;butabarbital;butabarbital sodium;butabarbitone;Butisol;Butisol Sodium;Sarisol;secbutabarbital;secbutabarbital sodium;secbutobarbitone;secumalum

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Butabarbital

Chemical Property:

• Melting Point: 166.5°C
• Refractive Index: 1.4550 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 7.93±0.10(Predicted)
• Flash Point: °C
• PSA: 75.27000
• Density: 1.101 g/cm³
• LogP: 1.45250
• Storage Temp.: ?20°C
• Water Solubility.: 848.3mg/L(25 oC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.11609238
• Heavy Atom Count: 15
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25-25
• Safety Statements: 16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1(C(=O)NC(=O)NC1=O)CC
• Description: Butabarbital (CRM) (Item No. 20088) is a certified reference material categorized as a barbiturate. It has a high abuse potential and increases risk of overdose morbidity and mortality in recreational drug users. Butabarbital is regulated as a Schedule III compound in the United States. Butabarbital (CRM) (Item No. 20088) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.
• Uses: Controlled substance (depressant). Sedative, hypnotic. Butabarbital is also used as a soporific drug in various forms of insomnia and as a sedative. The most frequently used synonym is butizone.

Technology Process of Butabarbital

There total 2 articles about Butabarbital 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:

ethyl-sec-butyl-malonic acid diethyl ester (76-71-1) + urea (57-13-6) → butabarbital (125-40-6)

Guidance literature:

With sodium ethanolate;

Reference yield:

→ butabarbital (125-40-6)

Guidance literature:

5-Ethyl-5-sek-butyl-2-hydrazinobarbitursaeure, HCl (Hydrolyse);

Reference yield:

butabarbital (125-40-6) → valnocatmide (4171-13-5)

Guidance literature:

With ammonia; at 200 ℃;

DOI:10.1021/jo01060a048

upstream raw materials:

ethyl-sec-butyl-malonic acid diethyl ester

urea

Downstream raw materials:

valnocatmide