4-Hydroxyphenobarbital

Base Information

• Chemical Name: 4-Hydroxyphenobarbital
• CAS No.: 379-34-0
• Molecular Formula: C12H12 N2 O4
• Molecular Weight: 248.238
• European Community (EC) Number: 206-831-7
• NSC Number: 159266
• UNII: RF9R6T1NUN
• DSSTox Substance ID: DTXSID20191328
• Nikkaji Number: J213.604J
• Wikidata: Q83063844
• ChEMBL ID: CHEMBL1908024
• Mol file: 379-34-0.mol

Synonyms:4-hydroxyphenobarbital;p-hydroxy-PB;p-hydroxy-phenobarbitone;para-hydroxyphenobarbital

Chemical Property of 4-Hydroxyphenobarbital

Chemical Property:

• Melting Point: 218-220°C
• Boiling Point: °Cat760mmHg
• PKA: 7.68±0.10(Predicted)
• Flash Point: °C
• Density: 1.33g/cm³
• Storage Temp.: -20°C Freezer
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 248.07970687
• Heavy Atom Count: 18
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

4-HYDROXYPHENOBARBITAL 95.00% ^*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)C2=CC=C(C=C2)O
• Uses: A metabolite of Phenobarbital

Technology Process of 4-Hydroxyphenobarbital

There total 2 articles about 4-Hydroxyphenobarbital 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:

→ p-Hydroxyphenobarbital (379-34-0)

Guidance literature:

With water;

Reference yield:

→ p-Hydroxyphenobarbital (379-34-0)

Guidance literature:

Barbitursaeurederivat VIIIa;

Reference yield:

p-Hydroxyphenobarbital (379-34-0) + Uridine-5'-diphosphoglucuronic acid sodium salt → p-Hydroxyphenobarbital glucuronide

Guidance literature:

With CNBr-activated Sepharose 4B; rat hepatic uridine-5'-diphosphoglucuronosyltransferase; magnesium chloride; D-Glucaro-1,4-lacton; In methanol; water; at 22 ℃; for 16h;

DOI:10.1002/jps.2600840918

Downstream raw materials:

5-(4-ethoxy-phenyl)-1,3,5-triethyl-pyrimidine-2,4,6-trione

Refernces