Febarbamate

Base Information

• Chemical Name: Febarbamate
• CAS No.: 13246-02-1
• Molecular Formula: C20H27 N3 O6
• Molecular Weight: 405.451
• European Community (EC) Number: 236-226-3
• UNII: 5Z48ONN38P
• DSSTox Substance ID: DTXSID40864380
• Nikkaji Number: J8.096I
• Wikipedia: Febarbamate
• Wikidata: Q5439707
• NCI Thesaurus Code: C65626
• Metabolomics Workbench ID: 154121
• ChEMBL ID: CHEMBL2104283
• Mol file: 13246-02-1.mol

Synonyms:1-(3-butoxy-2-carbamoyloxypropyl)-5-ethyl-5-phenyl-(1H,3H,5H)-pyrimidine-2,4,6-trione;5-ethyl-1-(3-butoxy-2-carbamoyloxypropyl)-5-barbituric acid;febarbamate;G-Tril;phenobamate

Chemical Property of Febarbamate

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 7.78±0.10(Predicted)
• Flash Point: °C
• PSA: 128.03000
• Density: 1.214g/cm³
• LogP: 2.66040
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 405.18998559
• Heavy Atom Count: 29
• Complexity: 619

Purity/Quality:

98%Min ^*data from raw suppliers

FEBARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCC(CN1C(=O)C(C(=O)NC1=O)(CC)C2=CC=CC=C2)OC(=O)N

Technology Process of Febarbamate

There total 4 articles about Febarbamate 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: 93.0%

→ N-(2-carbamoyloxy-3-butoxypropyl) phenobarbital (13246-02-1)

Guidance literature:

Reference yield:

isocyanatophosphonic dichloride (870-30-4) + 1-(3-butoxy-2-hydroxy-propyl)-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione (67441-96-7) → N-(2-carbamoyloxy-3-butoxypropyl) phenobarbital (13246-02-1)

Guidance literature:

With sodium hydroxide; In water; toluene;

Reference yield:

isocyanate de chlorosulfonyle (1189-71-5) + 1-(3-butoxy-2-hydroxy-propyl)-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione (67441-96-7) → N-(2-carbamoyloxy-3-butoxypropyl) phenobarbital (13246-02-1)

Guidance literature:

In dichloromethane; water;

upstream raw materials:

1-chloro-3-butoxy-2-carbamoyloxypropane

phenobartital sodium

isocyanate de chlorosulfonyle

1-(3-butoxy-2-hydroxy-propyl)-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione