Talbutal

Base Information

• Chemical Name: Talbutal
• CAS No.: 115-44-6
• Molecular Formula: C11H16 N2 O3
• Molecular Weight: 224.26
• Hs Code.: 2933540000
• European Community (EC) Number: 204-090-4
• UNII: 4YIR8202AX
• DSSTox Substance ID: DTXSID8023630
• Nikkaji Number: J47.150J
• Wikipedia: Talbutal
• Wikidata: Q409942
• NCI Thesaurus Code: C66577
• Pharos Ligand ID: TYC5JWGGSD4Q
• Metabolomics Workbench ID: 145051
• ChEMBL ID: CHEMBL1200802
• Mol file: 115-44-6.mol

Synonyms:5-allyl-5-sec-butylbarbituric acid;allyl-sec-butyl-barbituric acid;talbutal

Chemical Property of Talbutal

Chemical Property:

• Vapor Pressure: 0.000384mmHg at 25°C
• Melting Point: 108-110°
• Refractive Index: 1.5000 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 75.27000
• Density: 1.098g/cm³
• LogP: 1.61860
• Water Solubility.: 2.16g/L(temperature not stated)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 329

Purity/Quality:

98%,99%, ^*data from raw suppliers

TALBUTAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
• Uses: A stuctural isomer of Butalbital (B690100). A short to intermediate-acting barbiturate that act as nonselective depressants of the central nervous system (CNS). Sedative, hypnotic. Controlled Substance.

Technology Process of Talbutal

There total 3 articles about Talbutal 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:

→ talbutal (115-44-6)

Guidance literature:

With sodium ethanolate; urea;

Reference yield:

s-butyl bromide (78-76-2,5787-31-5) + 5-allyl-pyrimidine-2,4,6-trione (2565-43-7) → talbutal (115-44-6)

Guidance literature:

With sodium hydroxide;

Reference yield:

→ talbutal (115-44-6)

Guidance literature:

/BRN= 209360/;

upstream raw materials:

s-butyl bromide

5-allyl-pyrimidine-2,4,6-trione