5-Ethyl-5-p-tolylbarbituric acid

Base Information

• Chemical Name: 5-Ethyl-5-p-tolylbarbituric acid
• CAS No.: 52584-39-1
• Molecular Formula: C₁₃H₁₄N₂O₃
• Molecular Weight: 246.266
• Hs Code.: 2933540000
• European Community (EC) Number: 258-023-9
• DSSTox Substance ID: DTXSID90967017
• Nikkaji Number: J337I
• Wikidata: Q82949502
• Mol file: 52584-39-1.mol

Synonyms:5-Ethyl-5-p-tolylbarbituric acid;52584-39-1;5-ethyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione;5-Ethyl-5,4'-tolylbarbituric acid;EINECS 258-023-9;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-methylphenyl)-;Tolybarb;SCHEMBL2615290;DTXSID90967017;5-Ethyl-5-(p-tolyl)barbituric acid;Barbituric acid, 5-ethyl-5-p-tolyl;5-ethyl-5-(p-tolyl)-barbituric acid;AKOS015916284;5-Ethyl-5-p-tolylbarbituric acid 99+%;Tolybarb (5-Ethyl-5-(p-tolyl)-barbituric Acid);5-Ethyl-4,6-dihydroxy-5-(4-methylphenyl)pyrimidin-2(5H)-one;5-Ethyl-5-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione #

Chemical Property of 5-Ethyl-5-p-tolylbarbituric acid

Chemical Property:

• Melting Point: 177-178 °C(lit.)
• PSA: 82.25000
• Density: 1.204g/cm³
• LogP: 1.56060
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246.10044231
• Heavy Atom Count: 18
• Complexity: 364

Purity/Quality:

98%Min ^*data from raw suppliers

5-ETHYL-5-PARA-TOLYLBARBITURIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C

Technology Process of 5-Ethyl-5-p-tolylbarbituric acid

There total 1 articles about 5-Ethyl-5-p-tolylbarbituric acid 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: 75.0%

5-ethyl barbituric acid (2518-72-1) + p-tolyllead triacetate (3076-56-0) → 5-ethyl-5-(p-methylphenyl)barbituric acid (52584-39-1)

Guidance literature:

With pyridine; In chloroform; at 40 ℃; for 8h;

upstream raw materials:

5-ethyl barbituric acid

p-tolyllead triacetate

Refernces